[5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] 4-azanylbenzoate dihydrochloride

Systemtic Name: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-piperidin-4-yl] 4-azanylbenzoate dihydrochloride Openeye Name: [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] 4-aminobenzoate dihydrochloride CAS Name: 4-aminobenzoic 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] 4-aminobenzoate dihydrochloride Traditional Name: 4-aminobenzoic acid [5-(azepan-1-ylmethyl)-1,2,5-trimethyl-4-phenyl-4-piperidyl] ester dihydrochloride Formula: C28H41Cl2N3O2 MolecularWeight: 522.55004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39N3O2.2ClH/c1-22-19-28(24-11-7-6-8-12-24,33-26(32)23-13-15-25(29)16-14-23)27(2,20-30(22)3)21-31-17-9-4-5-10-18-31;;/h6-8,11-16,22H,4-5,9-10,17-21,29H2,1-3H3;2*1H