1-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]piperidin-1-ium-4-carboxamide Formula: C23H31N2O4+ MolecularWeight: 399.50324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3)O

Isomeric SMILES

COC1=CC=C(C=C1)OC[C@@H](C[NH+]2CCC(CC2)C(=O)NCC3=CC=CC=C3)O

InChI

InChI=1S/C23H30N2O4/c1-28-21-7-9-22(10-8-21)29-17-20(26)16-25-13-11-19(12-14-25)23(27)24-15-18-5-3-2-4-6-18/h2-10,19-20,26H,11-17H2,1H3,(H,24,27)/p+1/t20-/m1/s1