2-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(1-cyclopentyl-4,5-dimethyl-2-imidazolyl)thio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(1-cyclopentyl-4,5-dimethylimidazol-2-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(1-cyclopentyl-4,5-dimethyl-imidazol-2-yl)thio]methyl]-7-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+]2=C(C=C1)NC(=CC2=O)CSC3=NC(=C(N3C4CCCC4)C)C

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC(=C(N3C4CCCC4)C)C

InChI

InChI=1S/C20H24N4OS/c1-13-8-9-18-22-16(10-19(25)23(18)11-13)12-26-20-21-14(2)15(3)24(20)17-6-4-5-7-17/h8-11,17H,4-7,12H2,1-3H3/p+1