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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3)O

InChI

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