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

Systemtic Name: 3-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropyl-dimethyl-azanium Openeye Name: 3-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylpropyl-dimethyl-ammonium CAS Name: 3-[[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]propyl-dimethylammonium IUPAC Name: 3-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylpropyl-dimethylazanium Traditional Name: 3-[[4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]thio]propyl-dimethyl-ammonium Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+](C)CCCSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H23N3O2S/c1-22(2)13-6-14-26-20-21-18-8-5-4-7-17(18)19(24)23(20)15-9-11-16(25-3)12-10-15/h4-5,7-12H,6,13-14H2,1-3H3/p+1