2-butyl-3-[1-methyl-2-(2-methylphenyl)piperidin-4-yl]-2-oxidanyl-1,3,4,5-tetrahydro-2-benzazepin-2-ium dihydrochloride

Systemtic Name: 2-butyl-3-[1-methyl-2-(2-methylphenyl)piperidin-4-yl]-2-oxidanyl-1,3,4,5-tetrahydro-2-benzazepin-2-ium dihydrochloride Openeye Name: 2-butyl-2-hydroxy-3-[1-methyl-2-(o-tolyl)-4-piperidyl]-1,3,4,5-tetrahydro-2-benzazepin-2-ium dihydrochloride CAS Name: 2-butyl-2-hydroxy-3-[1-methyl-2-(2-methylphenyl)-4-piperidinyl]-1,3,4,5-tetrahydro-2-benzazepin-2-ium dihydrochloride IUPAC Name: 2-butyl-2-hydroxy-3-[1-methyl-2-(2-methylphenyl)piperidin-4-yl]-1,3,4,5-tetrahydro-2-benzazepin-2-ium dihydrochloride Traditional Name: 2-butyl-2-hydroxy-3-[1-methyl-2-(o-tolyl)-4-piperidyl]-1,3,4,5-tetrahydro-2-benzazepin-2-ium dihydrochloride Formula: C27H41Cl2N2O+ MolecularWeight: 480.53324

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CC2=CC=CC=C2CCC1C3CCN(C(C3)C4=CC=CC=C4C)C)O.Cl.Cl

Isomeric SMILES

CCCC[N+]1(CC2=CC=CC=C2CCC1C3CCN(C(C3)C4=CC=CC=C4C)C)O.Cl.Cl

InChI

InChI=1S/C27H39N2O.2ClH/c1-4-5-18-29(30)20-24-12-8-7-11-22(24)14-15-27(29)23-16-17-28(3)26(19-23)25-13-9-6-10-21(25)2;;/h6-13,23,26-27,30H,4-5,14-20H2,1-3H3;2*1H/q+1;;