2-[4-(2-nitrophenyl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(2-nitrophenyl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-(2-nitrophenyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-nitrophenyl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(2-nitrophenyl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-(2-nitrophenyl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C16H25N4O3+ MolecularWeight: 321.3947

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N4O3/c1-13(2)17-16(21)12-18-8-5-9-19(11-10-18)14-6-3-4-7-15(14)20(22)23/h3-4,6-7,13H,5,8-12H2,1-2H3,(H,17,21)/p+1