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

Systemtic Name: 2-butyl-3-[1-methyl-2-(2-methylphenyl)piperidin-4-yl]-2-oxidanyl-1,3,4,5-tetrahydro-2-benzazepin-2-ium Openeye Name: 2-butyl-2-hydroxy-3-[1-methyl-2-(o-tolyl)-4-piperidyl]-1,3,4,5-tetrahydro-2-benzazepin-2-ium CAS Name: 2-butyl-2-hydroxy-3-[1-methyl-2-(2-methylphenyl)-4-piperidinyl]-1,3,4,5-tetrahydro-2-benzazepin-2-ium IUPAC Name: 2-butyl-2-hydroxy-3-[1-methyl-2-(2-methylphenyl)piperidin-4-yl]-1,3,4,5-tetrahydro-2-benzazepin-2-ium Traditional Name: 2-butyl-2-hydroxy-3-[1-methyl-2-(o-tolyl)-4-piperidyl]-1,3,4,5-tetrahydro-2-benzazepin-2-ium Formula: C27H39N2O+ MolecularWeight: 407.61136

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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

Isomeric SMILES

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

InChI

InChI=1S/C27H39N2O/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/q+1