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

Systemtic Name: N-(2-methoxyphenyl)-2-[4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]ethanamide Openeye Name: N-(2-methoxyphenyl)-2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]acetamide CAS Name: N-(2-methoxyphenyl)-2-[4-oxo-2-(1-piperidin-1-iumylmethyl)-3-quinazolinyl]acetamide IUPAC Name: N-(2-methoxyphenyl)-2-[4-oxo-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]acetamide Traditional Name: 2-[4-keto-2-(piperidin-1-ium-1-ylmethyl)quinazolin-3-yl]-N-(2-methoxyphenyl)acetamide Formula: C23H27N4O3+ MolecularWeight: 407.48548

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CN2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CN2C(=NC3=CC=CC=C3C2=O)C[NH+]4CCCCC4

InChI

InChI=1S/C23H26N4O3/c1-30-20-12-6-5-11-19(20)25-22(28)16-27-21(15-26-13-7-2-8-14-26)24-18-10-4-3-9-17(18)23(27)29/h3-6,9-12H,2,7-8,13-16H2,1H3,(H,25,28)/p+1