2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: 2-[4-(3-nitro-2-imidazo[1,2-a]pyridinyl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C17H25N6O3+ MolecularWeight: 361.4188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCCN(CC1)C2=C(N3C=CC=CC3=N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCCN(CC1)C2=C(N3C=CC=CC3=N2)[N+](=O)[O-]

InChI

InChI=1S/C17H24N6O3/c1-13(2)18-15(24)12-20-7-5-8-21(11-10-20)16-17(23(25)26)22-9-4-3-6-14(22)19-16/h3-4,6,9,13H,5,7-8,10-12H2,1-2H3,(H,18,24)/p+1