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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C2CC[NH+](CC2)CC3=CC(=C(C=C3)O)OC

InChI

InChI=1S/C22H28N2O3/c1-16(18-6-4-3-5-7-18)23-22(26)19-10-12-24(13-11-19)15-17-8-9-20(25)21(14-17)27-2/h3-9,14,16,19,25H,10-13,15H2,1-2H3,(H,23,26)/p+1/t16-/m1/s1