1-[[3-(2-methylphenyl)phenyl]methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[[3-(2-methylphenyl)phenyl]methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one Openeye Name: 4-allyl-1-[[3-(o-tolyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one CAS Name: 1-[[3-(2-methylphenyl)phenyl]methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[[3-(2-methylphenyl)phenyl]methyl]-4-prop-2-enyl-1,4-diazepan-1-ium-5-one Traditional Name: 4-allyl-1-[3-(o-tolyl)benzyl]-1,4-diazepan-1-ium-5-one Formula: C22H27N2O+ MolecularWeight: 335.46258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=CC=C2)C[NH+]3CCC(=O)N(CC3)CC=C

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=CC=C2)C[NH+]3CCC(=O)N(CC3)CC=C

InChI

InChI=1S/C22H26N2O/c1-3-12-24-15-14-23(13-11-22(24)25)17-19-8-6-9-20(16-19)21-10-5-4-7-18(21)2/h3-10,16H,1,11-15,17H2,2H3/p+1