[3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl] (Z)-octadec-9-enoate hydrochloride

Systemtic Name: [3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl] (Z)-octadec-9-enoate hydrochloride Openeye Name: [3-(dimethylamino)indan-5-yl] (Z)-octadec-9-enoate hydrochloride CAS Name: (Z)-9-octadecenoic acid [3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl] ester hydrochloride IUPAC Name: [3-(dimethylamino)-2,3-dihydro-1H-inden-5-yl] (Z)-octadec-9-enoate hydrochloride Traditional Name: (Z)-octadec-9-enoic acid [3-(dimethylamino)indan-5-yl] ester hydrochloride Formula: C29H48ClNO2 MolecularWeight: 478.14992

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC1=CC2=C(CCC2N(C)C)C=C1.Cl

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OC1=CC2=C(CCC2N(C)C)C=C1.Cl

InChI

InChI=1S/C29H47NO2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-29(31)32-26-22-20-25-21-23-28(30(2)3)27(25)24-26;/h11-12,20,22,24,28H,4-10,13-19,21,23H2,1-3H3;1H/b12-11-;