2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethyl-dimethyl-azanium

Systemtic Name: 2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethyl-dimethyl-azanium Openeye Name: 2-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylethyl-dimethyl-ammonium CAS Name: 2-[[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]ethyl-dimethylammonium IUPAC Name: 2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylethyl-dimethylazanium Traditional Name: 2-[[4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]thio]ethyl-dimethyl-ammonium Formula: C19H22N3O2S+ MolecularWeight: 356.46188

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+](C)CCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H21N3O2S/c1-21(2)12-13-25-19-20-17-7-5-4-6-16(17)18(23)22(19)14-8-10-15(24-3)11-9-14/h4-11H,12-13H2,1-3H3/p+1