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

Systemtic Name: [1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] (E)-3-phenylprop-2-enoate dihydrochloride Openeye Name: [1,2,5-trimethyl-4-phenyl-5-(1-piperidylmethyl)-4-piperidyl] (E)-3-phenylprop-2-enoate dihydrochloride CAS Name: (E)-3-phenyl-2-propenoic acid [1,2,5-trimethyl-4-phenyl-5-(1-piperidinylmethyl)-4-piperidinyl] ester dihydrochloride IUPAC Name: [1,2,5-trimethyl-4-phenyl-5-(piperidin-1-ylmethyl)piperidin-4-yl] (E)-3-phenylprop-2-enoate dihydrochloride Traditional Name: (E)-3-phenylacrylic acid [1,2,5-trimethyl-4-phenyl-5-(piperidinomethyl)-4-piperidyl] ester dihydrochloride Formula: C29H40Cl2N2O2 MolecularWeight: 519.5461

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CN1C)(C)CN2CCCCC2)(C3=CC=CC=C3)OC(=O)C=CC4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CC1CC(C(CN1C)(C)CN2CCCCC2)(C3=CC=CC=C3)OC(=O)/C=C/C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C29H38N2O2.2ClH/c1-24-21-29(26-15-9-5-10-16-26,33-27(32)18-17-25-13-7-4-8-14-25)28(2,22-30(24)3)23-31-19-11-6-12-20-31;;/h4-5,7-10,13-18,24H,6,11-12,19-23H2,1-3H3;2*1H/b18-17+;;