3-(1,3-benzothiazol-2-ylmethyl)-6,7-dimethoxy-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-ylmethyl)-6,7-dimethoxy-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one Openeye Name: 3-(1,3-benzothiazol-2-ylmethyl)-6,7-dimethoxy-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one CAS Name: 3-(1,3-benzothiazol-2-ylmethyl)-6,7-dimethoxy-2-(4-morpholin-4-iumylmethyl)-4-quinazolinone IUPAC Name: 3-(1,3-benzothiazol-2-ylmethyl)-6,7-dimethoxy-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one Traditional Name: 3-(1,3-benzothiazol-2-ylmethyl)-6,7-dimethoxy-2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-one Formula: C23H25N4O4S+ MolecularWeight: 453.534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)C[NH+]3CCOCC3)CC4=NC5=CC=CC=C5S4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)C[NH+]3CCOCC3)CC4=NC5=CC=CC=C5S4)OC

InChI

InChI=1S/C23H24N4O4S/c1-29-18-11-15-17(12-19(18)30-2)24-21(13-26-7-9-31-10-8-26)27(23(15)28)14-22-25-16-5-3-4-6-20(16)32-22/h3-6,11-12H,7-10,13-14H2,1-2H3/p+1