2-[4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(3-methyl-5-nitro-4-imidazolyl)-1,4-diazepan-1-ium-1-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(3-methyl-5-nitroimidazol-4-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(3-methyl-5-nitro-imidazol-4-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C15H25N6O3+ MolecularWeight: 337.3974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1N2CCC[NH+](CC2)CC(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1N2CCC[NH+](CC2)CC(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C15H24N6O3/c1-17-12-16-14(21(23)24)15(17)20-8-4-5-18(9-10-20)11-13(22)19-6-2-3-7-19/h12H,2-11H2,1H3/p+1