[4-(dimethylaminomethyl)phenyl] (Z)-octadec-9-enoate hydrochloride

Systemtic Name: [4-(dimethylaminomethyl)phenyl] (Z)-octadec-9-enoate hydrochloride Openeye Name: [4-(dimethylaminomethyl)phenyl] (Z)-octadec-9-enoate hydrochloride CAS Name: (Z)-9-octadecenoic acid [4-(dimethylaminomethyl)phenyl] ester hydrochloride IUPAC Name: [4-(dimethylaminomethyl)phenyl] (Z)-octadec-9-enoate hydrochloride Traditional Name: (Z)-octadec-9-enoic acid [4-(dimethylaminomethyl)phenyl] ester hydrochloride Formula: C27H46ClNO2 MolecularWeight: 452.11264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1=CC=C(C=C1)CN(C)C.Cl

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OC1=CC=C(C=C1)CN(C)C.Cl

InChI

InChI=1S/C27H45NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(29)30-26-22-20-25(21-23-26)24-28(2)3;/h11-12,20-23H,4-10,13-19,24H2,1-3H3;1H/b12-11-;