[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-azanium

Systemtic Name: [4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-azanium Openeye Name: [4-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-ammonium CAS Name: [4-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-2-quinazolinyl]methyl-dimethylammonium IUPAC Name: [4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylquinazolin-2-yl]methyl-dimethylazanium Traditional Name: [4-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]quinazolin-2-yl]methyl-dimethyl-ammonium Formula: C20H21N4O3S+ MolecularWeight: 397.47074

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N4O3S/c1-24(2)10-18-22-15-6-4-3-5-14(15)20(23-18)28-11-19(25)21-13-7-8-16-17(9-13)27-12-26-16/h3-9H,10-12H2,1-2H3,(H,21,25)/p+1