2-[(4-tert-butylphenyl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(4-tert-butylphenyl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(4-tert-butylphenyl)thio]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(4-tert-butylphenyl)sulfanylmethyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(4-tert-butylphenyl)thio]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H23N2OS+ MolecularWeight: 339.47442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CSC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CSC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H22N2OS/c1-14-6-5-11-22-18(23)12-16(21-19(14)22)13-24-17-9-7-15(8-10-17)20(2,3)4/h5-12H,13H2,1-4H3/p+1