6,7-dimethoxy-2-methylsulfanyl-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-3-ium-4-amine

Systemtic Name: 6,7-dimethoxy-2-methylsulfanyl-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-3-ium-4-amine Openeye Name: 6,7-dimethoxy-2-methylsulfanyl-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-3-ium-4-amine CAS Name: 6,7-dimethoxy-2-(methylthio)-3-[[3-(trifluoromethyl)phenyl]methyl]-4-quinazolin-3-iumamine IUPAC Name: 6,7-dimethoxy-2-methylsulfanyl-3-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-3-ium-4-amine Traditional Name: [6,7-dimethoxy-2-(methylthio)-3-[3-(trifluoromethyl)benzyl]quinazolin-3-ium-4-yl]amine Formula: C19H19F3N3O2S+ MolecularWeight: 410.43327

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=[N+](C(=N2)SC)CC3=CC(=CC=C3)C(F)(F)F)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=[N+](C(=N2)SC)CC3=CC(=CC=C3)C(F)(F)F)N)OC

InChI

InChI=1S/C19H18F3N3O2S/c1-26-15-8-13-14(9-16(15)27-2)24-18(28-3)25(17(13)23)10-11-5-4-6-12(7-11)19(20,21)22/h4-9,23H,10H2,1-3H3/p+1