methyl-[2-(4-methylphenyl)sulfanylethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: methyl-[2-(4-methylphenyl)sulfanylethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: methyl-[(4-oxo-1H-quinazolin-2-yl)methyl]-[2-(p-tolylsulfanyl)ethyl]ammonium CAS Name: methyl-[2-[(4-methylphenyl)thio]ethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: methyl-[2-(4-methylphenyl)sulfanylethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (4-keto-1H-quinazolin-2-yl)methyl-methyl-[2-(p-tolylthio)ethyl]ammonium Formula: C19H22N3OS+ MolecularWeight: 340.46248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC[NH+](C)CC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=C(C=C1)SCC[NH+](C)CC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C19H21N3OS/c1-14-7-9-15(10-8-14)24-12-11-22(2)13-18-20-17-6-4-3-5-16(17)19(23)21-18/h3-10H,11-13H2,1-2H3,(H,20,21,23)/p+1