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

Systemtic Name: 7-methyl-2-(quinolin-2-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-methyl-2-(2-quinolylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[(2-quinolinylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-(quinolin-2-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-methyl-2-[(2-quinolylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C19H16N3OS+ MolecularWeight: 334.41484

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3OS/c1-13-6-8-17-20-15(10-19(23)22(17)11-13)12-24-18-9-7-14-4-2-3-5-16(14)21-18/h2-11H,12H2,1H3/p+1