(3S)-1-[(5-methoxy-2-oxidanyl-phenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(5-methoxy-2-oxidanyl-phenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(2-hydroxy-5-methoxy-phenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]-N-[2-(4-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(2-hydroxy-5-methoxy-benzyl)-N-[2-(4-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Formula: C27H31N2O4+ MolecularWeight: 447.54604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3CCC[NH+](C3)CC4=C(C=CC(=C4)OC)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)[C@H]3CCC[NH+](C3)CC4=C(C=CC(=C4)OC)O

InChI

InChI=1S/C27H30N2O4/c1-32-22-11-9-19(10-12-22)24-7-3-4-8-25(24)28-27(31)20-6-5-15-29(17-20)18-21-16-23(33-2)13-14-26(21)30/h3-4,7-14,16,20,30H,5-6,15,17-18H2,1-2H3,(H,28,31)/p+1/t20-/m0/s1