N,N-dimethyl-2-[4-(3-nitrophenyl)carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N,N-dimethyl-2-[4-(3-nitrophenyl)carbonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N,N-dimethyl-2-[4-(3-nitrobenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N,N-dimethyl-2-[4-[(3-nitrophenyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N,N-dimethyl-2-[4-(3-nitrobenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N,N-dimethyl-2-[4-(3-nitrobenzoyl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C16H23N4O4+ MolecularWeight: 335.37822

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C(=O)C[NH+]1CCCN(CC1)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O4/c1-17(2)15(21)12-18-7-4-8-19(10-9-18)16(22)13-5-3-6-14(11-13)20(23)24/h3,5-6,11H,4,7-10,12H2,1-2H3/p+1