N-(4-ethanoylphenyl)-2-[5-methoxy-4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)pyridin-1-yl]ethanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[5-methoxy-4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)pyridin-1-yl]ethanamide Openeye Name: N-(4-acetylphenyl)-2-[5-methoxy-4-oxo-2-(piperidin-1-ium-1-ylmethyl)-1-pyridyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[5-methoxy-4-oxo-2-(1-piperidin-1-iumylmethyl)-1-pyridinyl]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[5-methoxy-4-oxo-2-(piperidin-1-ium-1-ylmethyl)pyridin-1-yl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[4-keto-5-methoxy-2-(piperidin-1-ium-1-ylmethyl)-1-pyridyl]acetamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(C(=O)C=C2C[NH+]3CCCCC3)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(C(=O)C=C2C[NH+]3CCCCC3)OC

InChI

InChI=1S/C22H27N3O4/c1-16(26)17-6-8-18(9-7-17)23-22(28)15-25-14-21(29-2)20(27)12-19(25)13-24-10-4-3-5-11-24/h6-9,12,14H,3-5,10-11,13,15H2,1-2H3,(H,23,28)/p+1