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

Systemtic Name: 7-methyl-2-[(4-methylquinolin-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-methyl-2-[(4-methyl-2-quinolyl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[[(4-methyl-2-quinolinyl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-[(4-methylquinolin-2-yl)sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-methyl-2-[[(4-methyl-2-quinolyl)thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H18N3OS+ MolecularWeight: 348.44142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC4=CC=CC=C4C(=C3)C

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC4=CC=CC=C4C(=C3)C

InChI

InChI=1S/C20H17N3OS/c1-13-7-8-18-21-15(10-20(24)23(18)11-13)12-25-19-9-14(2)16-5-3-4-6-17(16)22-19/h3-11H,12H2,1-2H3/p+1