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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=C(C(=CC=C3)OC)O

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=C(C(=CC=C3)OC)O

InChI

InChI=1S/C22H28N2O3/c1-23(15-17-7-4-3-5-8-17)22(26)18-11-13-24(14-12-18)16-19-9-6-10-20(27-2)21(19)25/h3-10,18,25H,11-16H2,1-2H3/p+1