4-[(2-methylphenyl)methyl]-1-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-1,4-diazepan-5-one

Systemtic Name: 4-[(2-methylphenyl)methyl]-1-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-1,4-diazepan-5-one Openeye Name: 4-(o-tolylmethyl)-1-(1-oxidopyridin-1-ium-3-carbonyl)-1,4-diazepan-5-one CAS Name: 4-[(2-methylphenyl)methyl]-1-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-1,4-diazepan-5-one IUPAC Name: 4-[(2-methylphenyl)methyl]-1-(1-oxidopyridin-1-ium-3-carbonyl)-1,4-diazepan-5-one Traditional Name: 4-(2-methylbenzyl)-1-(1-oxidopyridin-1-ium-3-carbonyl)-1,4-diazepan-5-one Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CCC2=O)C(=O)C3=C[N+](=CC=C3)[O-]

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CCC2=O)C(=O)C3=C[N+](=CC=C3)[O-]

InChI

InChI=1S/C19H21N3O3/c1-15-5-2-3-6-16(15)13-21-12-11-20(10-8-18(21)23)19(24)17-7-4-9-22(25)14-17/h2-7,9,14H,8,10-13H2,1H3