[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-azanium

Systemtic Name: [4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-azanium Openeye Name: [4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]sulfanylquinazolin-2-yl]methyl-dimethyl-ammonium CAS Name: [4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]thio]-2-quinazolinyl]methyl-dimethylammonium IUPAC Name: [4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylquinazolin-2-yl]methyl-dimethylazanium Traditional Name: [4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]thio]quinazolin-2-yl]methyl-dimethyl-ammonium Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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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)OCCO4

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22N4O3S/c1-25(2)12-19-23-16-6-4-3-5-15(16)21(24-19)29-13-20(26)22-14-7-8-17-18(11-14)28-10-9-27-17/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,26)/p+1