2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(3-nitro-2-imidazo[1,2-a]pyridinyl)-1,4-diazepan-1-ium-1-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,4-diazepan-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C18H25N6O3+ MolecularWeight: 373.4295

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCCN(CC2)C3=C(N4C=CC=CC4=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCCN(CC2)C3=C(N4C=CC=CC4=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O3/c25-16(21-8-3-4-9-21)14-20-7-5-10-22(13-12-20)17-18(24(26)27)23-11-2-1-6-15(23)19-17/h1-2,6,11H,3-5,7-10,12-14H2/p+1