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

Systemtic Name: N-[[(3R)-1-[(4-methoxy-3-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide Openeye Name: N-[[(3R)-1-[(3-hydroxy-4-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide CAS Name: N-[[(3R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-piperidin-1-iumyl]methyl]-4-phenylbenzamide IUPAC Name: N-[[(3R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-1-ium-3-yl]methyl]-4-phenylbenzamide Traditional Name: N-[[(3R)-1-(3-hydroxy-4-methoxy-benzyl)piperidin-1-ium-3-yl]methyl]-4-phenyl-benzamide Formula: C27H31N2O3+ MolecularWeight: 431.54664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCCC(C2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)O

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCC[C@@H](C2)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C27H30N2O3/c1-32-26-14-9-20(16-25(26)30)18-29-15-5-6-21(19-29)17-28-27(31)24-12-10-23(11-13-24)22-7-3-2-4-8-22/h2-4,7-14,16,21,30H,5-6,15,17-19H2,1H3,(H,28,31)/p+1/t21-/m1/s1