2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H25N4OS+ MolecularWeight: 369.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC2=CC(=O)[N+]3=CC=CC=C3N2)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC2=CC(=O)[N+]3=CC=CC=C3N2)C4CCCCC4)C

InChI

InChI=1S/C20H24N4OS/c1-14-15(2)24(17-8-4-3-5-9-17)20(21-14)26-13-16-12-19(25)23-11-7-6-10-18(23)22-16/h6-7,10-12,17H,3-5,8-9,13H2,1-2H3/p+1