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

Systemtic Name: 4-[1-[3-(4-methylphenyl)phenyl]piperidin-4-yl]-1,4-diazepan-4-ium-2-one Openeye Name: 4-[1-[3-(p-tolyl)phenyl]-4-piperidyl]-1,4-diazepan-4-ium-2-one CAS Name: 4-[1-[3-(4-methylphenyl)phenyl]-4-piperidinyl]-1,4-diazepan-4-ium-2-one IUPAC Name: 4-[1-[3-(4-methylphenyl)phenyl]piperidin-4-yl]-1,4-diazepan-4-ium-2-one Traditional Name: 4-[1-[3-(p-tolyl)phenyl]-4-piperidyl]-1,4-diazepan-4-ium-2-one Formula: C23H30N3O+ MolecularWeight: 364.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=CC=C2)N3CCC(CC3)[NH+]4CCCNC(=O)C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=CC=C2)N3CCC(CC3)[NH+]4CCCNC(=O)C4

InChI

InChI=1S/C23H29N3O/c1-18-6-8-19(9-7-18)20-4-2-5-22(16-20)25-14-10-21(11-15-25)26-13-3-12-24-23(27)17-26/h2,4-9,16,21H,3,10-15,17H2,1H3,(H,24,27)/p+1