4-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-3-(phenylmethyl)piperazin-2-one

Systemtic Name: 4-(1-oxidanidylpyridin-1-ium-4-yl)carbonyl-3-(phenylmethyl)piperazin-2-one Openeye Name: 3-benzyl-4-(1-oxidopyridin-1-ium-4-carbonyl)piperazin-2-one CAS Name: 4-[(1-oxido-4-pyridin-1-iumyl)-oxomethyl]-3-(phenylmethyl)-2-piperazinone IUPAC Name: 3-benzyl-4-(1-oxidopyridin-1-ium-4-carbonyl)piperazin-2-one Traditional Name: 3-benzyl-4-(1-oxidopyridin-1-ium-4-carbonyl)piperazin-2-one Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC2=CC=CC=C2)C(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1CN(C(C(=O)N1)CC2=CC=CC=C2)C(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C17H17N3O3/c21-16-15(12-13-4-2-1-3-5-13)20(11-8-18-16)17(22)14-6-9-19(23)10-7-14/h1-7,9-10,15H,8,11-12H2,(H,18,21)