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

Systemtic Name: 2-[5-methoxy-4-oxidanylidene-2-(piperidin-1-ium-1-ylmethyl)pyridin-1-yl]-N-[(4-methylphenyl)methyl]ethanamide Openeye Name: 2-[5-methoxy-4-oxo-2-(piperidin-1-ium-1-ylmethyl)-1-pyridyl]-N-(p-tolylmethyl)acetamide CAS Name: 2-[5-methoxy-4-oxo-2-(1-piperidin-1-iumylmethyl)-1-pyridinyl]-N-[(4-methylphenyl)methyl]acetamide IUPAC Name: 2-[5-methoxy-4-oxo-2-(piperidin-1-ium-1-ylmethyl)pyridin-1-yl]-N-[(4-methylphenyl)methyl]acetamide Traditional Name: 2-[4-keto-5-methoxy-2-(piperidin-1-ium-1-ylmethyl)-1-pyridyl]-N-(4-methylbenzyl)acetamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CN2C=C(C(=O)C=C2C[NH+]3CCCCC3)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CN2C=C(C(=O)C=C2C[NH+]3CCCCC3)OC

InChI

InChI=1S/C22H29N3O3/c1-17-6-8-18(9-7-17)13-23-22(27)16-25-15-21(28-2)20(26)12-19(25)14-24-10-4-3-5-11-24/h6-9,12,15H,3-5,10-11,13-14,16H2,1-2H3,(H,23,27)/p+1