(E)-ibd-78 acetate (Q27287178)

UNII-QC1U7D4U4J (English)

14 October 2016

chemical formula

C₁₉H₂₃NO₂S

1 reference

UNII-QC1U7D4U4J (English)

14 October 2016

canonical SMILES

CC(=O)O.CNCCC=C1C2=C(CCC3=CC=CC=C31)SC=C2

1 reference

UNII-QC1U7D4U4J (English)

14 October 2016

isomeric SMILES

CC(=O)O.CNCC/C=C\1/C2=C(CCC3=CC=CC=C31)SC=C2

1 reference

UNII-QC1U7D4U4J (English)

InChI=1S/C17H19NS.C2H4O2/c1-18-11-4-7-15-14-6-3-2-5-13(14)8-9-17-16(15)10-12-19-17;1-2(3)4/h2-3,5-7,10,12,18H,4,8-9,11H2,1H3;1H3,(H,3,4)/b15-7+;

14 October 2016

Identifiers

InChI

1 reference

UNII-QC1U7D4U4J (English)

LGRYUIUQCWDBHC-HAZZGOGXSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-QC1U7D4U4J (English)

14 October 2016

1 reference

UNII

QC1U7D4U4J

(E)-ibd-78 acetate (English)

14 October 2016

1 reference

(3E)-3-(9,10-Dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-4-ylidene)-N-methyl-1-propanamine acetate (1:1) (English)

14 October 2016

2 references

UNII-QC1U7D4U4J (English)

matched by identifier from

14 October 2016

InChIKey

LGRYUIUQCWDBHC-HAZZGOGXSA-N

1 reference

2 references

Global Substance Registration System

UNII

QC1U7D4U4J

(E)-ibd-78 acetate (English)