1-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]-1,4-diazepan-1-ium

Systemtic Name: 1-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]-1,4-diazepan-1-ium Openeye Name: 1-[1-[3-(o-tolyl)phenyl]-4-piperidyl]-1,4-diazepan-1-ium CAS Name: 1-[1-[3-(2-methylphenyl)phenyl]-4-piperidinyl]-1,4-diazepan-1-ium IUPAC Name: 1-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]-1,4-diazepan-1-ium Traditional Name: 1-[1-[3-(o-tolyl)phenyl]-4-piperidyl]-1,4-diazepan-1-ium Formula: C23H32N3+ MolecularWeight: 350.52028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=CC=C2)N3CCC(CC3)[NH+]4CCCNCC4

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=CC=C2)N3CCC(CC3)[NH+]4CCCNCC4

InChI

InChI=1S/C23H31N3/c1-19-6-2-3-9-23(19)20-7-4-8-22(18-20)26-15-10-21(11-16-26)25-14-5-12-24-13-17-25/h2-4,6-9,18,21,24H,5,10-17H2,1H3/p+1