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

Systemtic Name: 2-[(7-methoxy-4-methyl-quinolin-2-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(7-methoxy-4-methyl-2-quinolyl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(7-methoxy-4-methyl-2-quinolinyl)thio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(7-methoxy-4-methylquinolin-2-yl)sulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(7-methoxy-4-methyl-2-quinolyl)thio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H20N3O2S+ MolecularWeight: 378.4674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC4=C(C=CC(=C4)OC)C(=C3)C

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC4=C(C=CC(=C4)OC)C(=C3)C

InChI

InChI=1S/C21H19N3O2S/c1-13-4-7-19-22-15(9-21(25)24(19)11-13)12-27-20-8-14(2)17-6-5-16(26-3)10-18(17)23-20/h4-11H,12H2,1-3H3/p+1