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

Systemtic Name: 2-[4-(4-chloranyl-2-nitro-phenyl)-1,4-diazepan-1-ium-1-yl]-N,N-diethyl-ethanamide Openeye Name: 2-[4-(4-chloro-2-nitro-phenyl)-1,4-diazepan-1-ium-1-yl]-N,N-diethyl-acetamide CAS Name: 2-[4-(4-chloro-2-nitrophenyl)-1,4-diazepan-1-ium-1-yl]-N,N-diethylacetamide IUPAC Name: 2-[4-(4-chloro-2-nitrophenyl)-1,4-diazepan-1-ium-1-yl]-N,N-diethylacetamide Traditional Name: 2-[4-(4-chloro-2-nitro-phenyl)-1,4-diazepan-1-ium-1-yl]-N,N-diethyl-acetamide Formula: C17H26ClN4O3+ MolecularWeight: 369.86634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN4O3/c1-3-20(4-2)17(23)13-19-8-5-9-21(11-10-19)15-7-6-14(18)12-16(15)22(24)25/h6-7,12H,3-5,8-11,13H2,1-2H3/p+1