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

Systemtic Name: 2-[4-(2-chloranyl-4-nitro-phenyl)carbonyl-1,4-diazepan-1-ium-1-yl]-N,N-diethyl-ethanamide Openeye Name: 2-[4-(2-chloro-4-nitro-benzoyl)-1,4-diazepan-1-ium-1-yl]-N,N-diethyl-acetamide CAS Name: 2-[4-[(2-chloro-4-nitrophenyl)-oxomethyl]-1,4-diazepan-1-ium-1-yl]-N,N-diethylacetamide IUPAC Name: 2-[4-(2-chloro-4-nitrobenzoyl)-1,4-diazepan-1-ium-1-yl]-N,N-diethylacetamide Traditional Name: 2-[4-(2-chloro-4-nitro-benzoyl)-1,4-diazepan-1-ium-1-yl]-N,N-diethyl-acetamide Formula: C18H26ClN4O4+ MolecularWeight: 397.87644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25ClN4O4/c1-3-21(4-2)17(24)13-20-8-5-9-22(11-10-20)18(25)15-7-6-14(23(26)27)12-16(15)19/h6-7,12H,3-5,8-11,13H2,1-2H3/p+1