N-(3,4-dimethoxyphenyl)-2-[4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[4-oxo-2-(1-piperidin-1-iumylmethyl)-3-quinazolinyl]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]acetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[4-keto-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]acetamide Formula: C24H29N4O4+ MolecularWeight: 437.51146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CN2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CN2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCCCC4)OC

InChI

InChI=1S/C24H28N4O4/c1-31-20-11-10-17(14-21(20)32-2)25-23(29)16-28-22(15-27-12-6-3-7-13-27)26-19-9-5-4-8-18(19)24(28)30/h4-5,8-11,14H,3,6-7,12-13,15-16H2,1-2H3,(H,25,29)/p+1