1-[3-(cyclohexylamino)-6-nitro-2-pyridin-2-yl-imidazo[1,2-a]pyridin-4-ium-1-yl]ethanone chloride

Systemtic Name: 1-[3-(cyclohexylamino)-6-nitro-2-pyridin-2-yl-imidazo[1,2-a]pyridin-4-ium-1-yl]ethanone chloride Openeye Name: 1-[3-(cyclohexylamino)-6-nitro-2-(2-pyridyl)imidazo[1,2-a]pyridin-4-ium-1-yl]ethanone chloride CAS Name: 1-[3-(cyclohexylamino)-6-nitro-2-(2-pyridinyl)-1-imidazo[1,2-a]pyridin-4-iumyl]ethanone chloride IUPAC Name: 1-[3-(cyclohexylamino)-6-nitro-2-pyridin-2-ylimidazo[1,2-a]pyridin-4-ium-1-yl]ethanone chloride Traditional Name: 1-[3-(cyclohexylamino)-6-nitro-2-(2-pyridyl)imidazo[1,2-a]pyridin-4-ium-1-yl]ethanone chloride Formula: C20H22ClN5O3 MolecularWeight: 415.87338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=[N+](C=C(C=C2)[N+](=O)[O-])C(=C1C3=CC=CC=N3)NC4CCCCC4.[Cl-]

Isomeric SMILES

CC(=O)N1C2=[N+](C=C(C=C2)[N+](=O)[O-])C(=C1C3=CC=CC=N3)NC4CCCCC4.[Cl-]

InChI

InChI=1S/C20H22N5O3.ClH/c1-14(26)24-18-11-10-16(25(27)28)13-23(18)20(22-15-7-3-2-4-8-15)19(24)17-9-5-6-12-21-17;/h5-6,9-13,15,22H,2-4,7-8H2,1H3;1H/q+1;/p-1