[2-(dimethylaminomethyl)-1-prop-2-enyl-cyclohexyl] (E)-3-phenylprop-2-enoate hydrochloride

Systemtic Name: [2-(dimethylaminomethyl)-1-prop-2-enyl-cyclohexyl] (E)-3-phenylprop-2-enoate hydrochloride Openeye Name: [1-allyl-2-(dimethylaminomethyl)cyclohexyl] (E)-3-phenylprop-2-enoate hydrochloride CAS Name: (E)-3-phenyl-2-propenoic acid [2-(dimethylaminomethyl)-1-prop-2-enylcyclohexyl] ester hydrochloride IUPAC Name: [2-(dimethylaminomethyl)-1-prop-2-enylcyclohexyl] (E)-3-phenylprop-2-enoate hydrochloride Traditional Name: (E)-3-phenylacrylic acid [1-allyl-2-(dimethylaminomethyl)cyclohexyl] ester hydrochloride Formula: C21H30ClNO2 MolecularWeight: 363.9214

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCCCC1(CC=C)OC(=O)C=CC2=CC=CC=C2.Cl

Isomeric SMILES

CN(C)CC1CCCCC1(CC=C)OC(=O)/C=C/C2=CC=CC=C2.Cl

InChI

InChI=1S/C21H29NO2.ClH/c1-4-15-21(16-9-8-12-19(21)17-22(2)3)24-20(23)14-13-18-10-6-5-7-11-18;/h4-7,10-11,13-14,19H,1,8-9,12,15-17H2,2-3H3;1H/b14-13+;