1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-N-phenethyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3-methoxy-2-oxidanyl-phenyl)methyl]-N-phenethyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2-hydroxy-3-methoxy-phenyl)methyl]-N-phenethyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-phenethyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2-hydroxy-3-methoxyphenyl)methyl]-N-phenethylpiperidin-1-ium-4-carboxamide Traditional Name: 1-(2-hydroxy-3-methoxy-benzyl)-N-phenethyl-piperidin-1-ium-4-carboxamide Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3/c1-27-20-9-5-8-19(21(20)25)16-24-14-11-18(12-15-24)22(26)23-13-10-17-6-3-2-4-7-17/h2-9,18,25H,10-16H2,1H3,(H,23,26)/p+1