2-[4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: N-isopropyl-2-[4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: 2-[4-(3-methyl-5-nitro-4-imidazolyl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(3-methyl-5-nitroimidazol-4-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: N-isopropyl-2-[4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-diazepan-1-ium-1-yl]acetamide Formula: C14H25N6O3+ MolecularWeight: 325.3867

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCCN(CC1)C2=C(N=CN2C)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCCN(CC1)C2=C(N=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C14H24N6O3/c1-11(2)16-12(21)9-18-5-4-6-19(8-7-18)14-13(20(22)23)15-10-17(14)3/h10-11H,4-9H2,1-3H3,(H,16,21)/p+1