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

Systemtic Name: 4-[(2-methylphenyl)methyl]-1-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-1,4-diazepan-5-one Openeye Name: 4-(o-tolylmethyl)-1-(1-oxidopyridin-1-ium-4-carbonyl)-1,4-diazepan-5-one CAS Name: 4-[(2-methylphenyl)methyl]-1-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]-1,4-diazepan-5-one IUPAC Name: 4-[(2-methylphenyl)methyl]-1-(1-oxidopyridin-1-ium-4-carbonyl)-1,4-diazepan-5-one Traditional Name: 4-(2-methylbenzyl)-1-(1-oxidopyridin-1-ium-4-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=CC=[N+](C=C3)[O-]

Isomeric SMILES

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

InChI

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