1,3-benzothiazol-2-ylmethyl-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-methyl-azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-methyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-methyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-methylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-methylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C20H21N4O3S+ MolecularWeight: 397.47074

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+](CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N4O3S/c1-24(11-19-22-13-6-4-5-7-17(13)28-19)10-18-21-14-9-16(27-3)15(26-2)8-12(14)20(25)23-18/h4-9H,10-11H2,1-3H3,(H,21,23,25)/p+1