2-[4-[4-(dimethylamino)-3-nitro-phenyl]carbonyl-1,4-diazepan-1-ium-1-yl]-N,N-diethyl-ethanamide

Systemtic Name: 2-[4-[4-(dimethylamino)-3-nitro-phenyl]carbonyl-1,4-diazepan-1-ium-1-yl]-N,N-diethyl-ethanamide Openeye Name: 2-[4-[4-(dimethylamino)-3-nitro-benzoyl]-1,4-diazepan-1-ium-1-yl]-N,N-diethyl-acetamide CAS Name: 2-[4-[[4-(dimethylamino)-3-nitrophenyl]-oxomethyl]-1,4-diazepan-1-ium-1-yl]-N,N-diethylacetamide IUPAC Name: 2-[4-[4-(dimethylamino)-3-nitrobenzoyl]-1,4-diazepan-1-ium-1-yl]-N,N-diethylacetamide Traditional Name: 2-[4-[4-(dimethylamino)-3-nitro-benzoyl]-1,4-diazepan-1-ium-1-yl]-N,N-diethyl-acetamide Formula: C20H32N5O4+ MolecularWeight: 406.49918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N5O4/c1-5-23(6-2)19(26)15-22-10-7-11-24(13-12-22)20(27)16-8-9-17(21(3)4)18(14-16)25(28)29/h8-9,14H,5-7,10-13,15H2,1-4H3/p+1