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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-ethyl-azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethyl-ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-ethylazanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-ethyl-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]ammonium Formula: C21H23N4O3S+ MolecularWeight: 411.49732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O3S/c1-4-25(12-20-23-14-7-5-6-8-18(14)29-20)11-19-22-15-10-17(28-3)16(27-2)9-13(15)21(26)24-19/h5-10H,4,11-12H2,1-3H3,(H,22,24,26)/p+1