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

Systemtic Name: 7-methyl-2-(naphthalen-2-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 7-methyl-2-(2-naphthylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 7-methyl-2-[(2-naphthalenylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 7-methyl-2-(naphthalen-2-ylsulfanylmethyl)-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-methyl-2-[(2-naphthylthio)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H17N2OS+ MolecularWeight: 333.42678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H16N2OS/c1-14-6-9-19-21-17(11-20(23)22(19)12-14)13-24-18-8-7-15-4-2-3-5-16(15)10-18/h2-12H,13H2,1H3/p+1