5-(azepan-2-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-ol; (E)-3-phenylprop-2-enoic acid; dihydrochloride

Systemtic Name: 5-(azepan-2-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-ol; (E)-3-phenylprop-2-enoic acid; dihydrochloride Openeye Name: 5-(azepan-2-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-ol; (E)-3-phenylprop-2-enoic acid; dihydrochloride CAS Name: 5-(2-azepanylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidinol; (E)-3-phenyl-2-propenoic acid; dihydrochloride IUPAC Name: 5-(azepan-2-ylmethyl)-1,2,5-trimethyl-4-phenylpiperidin-4-ol; (E)-3-phenylprop-2-enoic acid; dihydrochloride Traditional Name: 5-(azepan-2-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-ol; (E)-3-phenylacrylic acid; dihydrochloride Formula: C30H44Cl2N2O3 MolecularWeight: 551.58796

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CN1C)(C)CC2CCCCCN2)(C3=CC=CC=C3)O.C1=CC=C(C=C1)C=CC(=O)O.Cl.Cl

Isomeric SMILES

CC1CC(C(CN1C)(C)CC2CCCCCN2)(C3=CC=CC=C3)O.C1=CC=C(C=C1)/C=C/C(=O)O.Cl.Cl

InChI

InChI=1S/C21H34N2O.C9H8O2.2ClH/c1-17-14-21(24,18-10-6-4-7-11-18)20(2,16-23(17)3)15-19-12-8-5-9-13-22-19;10-9(11)7-6-8-4-2-1-3-5-8;;/h4,6-7,10-11,17,19,22,24H,5,8-9,12-16H2,1-3H3;1-7H,(H,10,11);2*1H/b;7-6+;;