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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4/c1-32-24-9-3-6-20(16-24)19-11-13-23(14-12-19)28-27(31)22-8-5-15-29(18-22)17-21-7-4-10-25(33-2)26(21)30/h3-4,6-7,9-14,16,22,30H,5,8,15,17-18H2,1-2H3,(H,28,31)/p+1/t22-/m0/s1