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

Systemtic Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: methyl-[[4-(methylthio)phenyl]methyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: methyl-[(4-methylsulfanylphenyl)methyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: (4-keto-1H-quinazolin-2-yl)methyl-methyl-[4-(methylthio)benzyl]ammonium Formula: C18H20N3OS+ MolecularWeight: 326.4359

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3OS/c1-21(11-13-7-9-14(23-2)10-8-13)12-17-19-16-6-4-3-5-15(16)18(22)20-17/h3-10H,11-12H2,1-2H3,(H,19,20,22)/p+1