2-(4-azanyl-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)ethyl-dimethyl-azanium

Systemtic Name: 2-(4-azanyl-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)ethyl-dimethyl-azanium Openeye Name: 2-(4-amino-6,7-dimethoxy-2-thioxo-1H-quinazolin-3-ium-3-yl)ethyl-dimethyl-ammonium CAS Name: 2-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)ethyl-dimethylammonium IUPAC Name: 2-(4-amino-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-3-ium-3-yl)ethyl-dimethylazanium Traditional Name: 2-(4-amino-6,7-dimethoxy-2-thioxo-1H-quinazolin-3-ium-3-yl)ethyl-dimethyl-ammonium Formula: C14H22N4O2S+2 MolecularWeight: 310.41508

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC[N+]1=C(C2=CC(=C(C=C2NC1=S)OC)OC)N

Isomeric SMILES

C[NH+](C)CC[N+]1=C(C2=CC(=C(C=C2NC1=S)OC)OC)N

InChI

InChI=1S/C14H20N4O2S/c1-17(2)5-6-18-13(15)9-7-11(19-3)12(20-4)8-10(9)16-14(18)21/h7-8H,5-6H2,1-4H3,(H2,15,16,21)/p+2