[5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] (E)-3-phenylprop-2-enoate dihydrochloride

Systemtic Name: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] (E)-3-phenylprop-2-enoate dihydrochloride Openeye Name: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] (E)-3-phenylprop-2-enoate dihydrochloride CAS Name: (E)-3-phenyl-2-propenoic acid [5-(1-azepanylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidinyl] ester dihydrochloride IUPAC Name: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] (E)-3-phenylprop-2-enoate dihydrochloride Traditional Name: (E)-3-phenylacrylic acid [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] ester dihydrochloride Formula: C30H42Cl2N2O2 MolecularWeight: 533.57268

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CN1C)(C)CN2CCCCCC2)(C3=CC=CC=C3)OC(=O)C=CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CC1CC(C(CN1C)(C)CN2CCCCCC2)(C3=CC=CC=C3)OC(=O)/C=C/C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C30H40N2O2.2ClH/c1-25-22-30(27-16-10-7-11-17-27,34-28(33)19-18-26-14-8-6-9-15-26)29(2,23-31(25)3)24-32-20-12-4-5-13-21-32;;/h6-11,14-19,25H,4-5,12-13,20-24H2,1-3H3;2*1H/b19-18+;;