N,N-diethyl-2-[4-[2-nitro-4-(phenylcarbonyl)phenyl]-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N,N-diethyl-2-[4-[2-nitro-4-(phenylcarbonyl)phenyl]-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(4-benzoyl-2-nitro-phenyl)-1,4-diazepan-1-ium-1-yl]-N,N-diethyl-acetamide CAS Name: 2-[4-(4-benzoyl-2-nitrophenyl)-1,4-diazepan-1-ium-1-yl]-N,N-diethylacetamide IUPAC Name: 2-[4-(4-benzoyl-2-nitrophenyl)-1,4-diazepan-1-ium-1-yl]-N,N-diethylacetamide Traditional Name: 2-[4-(4-benzoyl-2-nitro-phenyl)-1,4-diazepan-1-ium-1-yl]-N,N-diethyl-acetamide Formula: C24H31N4O4+ MolecularWeight: 439.52734

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C[NH+]1CCCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=O)C[NH+]1CCCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O4/c1-3-26(4-2)23(29)18-25-13-8-14-27(16-15-25)21-12-11-20(17-22(21)28(31)32)24(30)19-9-6-5-7-10-19/h5-7,9-12,17H,3-4,8,13-16,18H2,1-2H3/p+1