methyl-[(4-methylsulfanylphenyl)methyl]-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]azanium

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]azanium Openeye Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]azanium Traditional Name: [(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C19H22N3OS+ MolecularWeight: 340.46248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+](C)CC3=CC=C(C=C3)SC

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+](C)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C19H21N3OS/c1-13(22(2)12-14-8-10-15(24-3)11-9-14)18-20-17-7-5-4-6-16(17)19(23)21-18/h4-11,13H,12H2,1-3H3,(H,20,21,23)/p+1/t13-/m1/s1