methyl-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: methyl-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: methyl-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: methyl-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: methyl-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: (4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl-methyl-[4-(methylthio)benzyl]ammonium Formula: C19H23N3OS+2 MolecularWeight: 341.47042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)C[NH+](C)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)C[NH+](C)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C19H21N3OS/c1-14-4-9-18-20-16(10-19(23)22(18)11-14)13-21(2)12-15-5-7-17(24-3)8-6-15/h4-11H,12-13H2,1-3H3/p+2