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

Systemtic Name: 4-ethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-ethyl-1-[[4-(o-tolyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-ethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-ethyl-1-[[4-(2-methylphenyl)phenyl]methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-ethyl-1-[4-(o-tolyl)benzyl]-1,4-diazepan-1-ium-5-one Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CCC1=O)CC2=CC=C(C=C2)C3=CC=CC=C3C

Isomeric SMILES

CCN1CC[NH+](CCC1=O)CC2=CC=C(C=C2)C3=CC=CC=C3C

InChI

InChI=1S/C21H26N2O/c1-3-23-15-14-22(13-12-21(23)24)16-18-8-10-19(11-9-18)20-7-5-4-6-17(20)2/h4-11H,3,12-16H2,1-2H3/p+1