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

Systemtic Name: 1-(azepan-1-yl)-2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-(3-nitro-2-imidazo[1,2-a]pyridinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperazin-1-ium-1-yl]ethanone Formula: C19H27N6O3+ MolecularWeight: 387.45608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=C(N4C=CC=CC4=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C[NH+]2CCN(CC2)C3=C(N4C=CC=CC4=N3)[N+](=O)[O-]

InChI

InChI=1S/C19H26N6O3/c26-17(22-8-4-1-2-5-9-22)15-21-11-13-23(14-12-21)18-19(25(27)28)24-10-6-3-7-16(24)20-18/h3,6-7,10H,1-2,4-5,8-9,11-15H2/p+1