N-(1,3-benzodioxol-5-ylmethyl)-2-[6,7-dimethoxy-2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6,7-dimethoxy-2-(morpholin-4-ium-4-ylmethyl)-4-oxidanylidene-quinazolin-3-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6,7-dimethoxy-2-(morpholin-4-ium-4-ylmethyl)-4-oxo-quinazolin-3-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6,7-dimethoxy-2-(4-morpholin-4-iumylmethyl)-4-oxo-3-quinazolinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[6,7-dimethoxy-2-(morpholin-4-ium-4-ylmethyl)-4-oxoquinazolin-3-yl]acetamide Traditional Name: 2-[4-keto-6,7-dimethoxy-2-(morpholin-4-ium-4-ylmethyl)quinazolin-3-yl]-N-piperonyl-acetamide Formula: C25H29N4O7+ MolecularWeight: 497.52036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)C[NH+]3CCOCC3)CC(=O)NCC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=N2)C[NH+]3CCOCC3)CC(=O)NCC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C25H28N4O7/c1-32-20-10-17-18(11-21(20)33-2)27-23(13-28-5-7-34-8-6-28)29(25(17)31)14-24(30)26-12-16-3-4-19-22(9-16)36-15-35-19/h3-4,9-11H,5-8,12-15H2,1-2H3,(H,26,30)/p+1