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

Systemtic Name: 2-[4-(4-chloranyl-2-nitro-phenyl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(4-chloro-2-nitro-phenyl)-1,4-diazepan-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-(4-chloro-2-nitrophenyl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(4-chloro-2-nitrophenyl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-(4-chloro-2-nitro-phenyl)-1,4-diazepan-1-ium-1-yl]-N-isopropyl-acetamide Formula: C16H24ClN4O3+ MolecularWeight: 355.83976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN4O3/c1-12(2)18-16(22)11-19-6-3-7-20(9-8-19)14-5-4-13(17)10-15(14)21(23)24/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,18,22)/p+1