3-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide

Systemtic Name: 3-(6,7-dimethoxy-4-oxidanylidene-quinazolin-3-yl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]propanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(6,7-dimethoxy-4-oxo-quinazolin-3-yl)propanamide CAS Name: 3-(6,7-dimethoxy-4-oxo-3-quinazolinyl)-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]propanamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-3-(4-keto-6,7-dimethoxy-quinazolin-3-yl)propionamide Formula: C25H31N4O4+ MolecularWeight: 451.53804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C=N2)CCC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C25H30N4O4/c1-32-22-14-20-21(15-23(22)33-2)26-17-29(25(20)31)13-10-24(30)27-19-8-11-28(12-9-19)16-18-6-4-3-5-7-18/h3-7,14-15,17,19H,8-13,16H2,1-2H3,(H,27,30)/p+1