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

Systemtic Name: 1-[(2R)-2-oxidanyl-3-(4-propanoylphenoxy)propyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2R)-2-hydroxy-3-[4-(1-oxopropyl)phenoxy]propyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[(2R)-2-hydroxy-3-(4-propanoylphenoxy)propyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[(2R)-2-hydroxy-3-(4-propionylphenoxy)propyl]piperidin-1-ium-4-carboxamide Formula: C25H33N2O4+ MolecularWeight: 425.54052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4/c1-2-24(29)20-8-10-23(11-9-20)31-18-22(28)17-27-14-12-21(13-15-27)25(30)26-16-19-6-4-3-5-7-19/h3-11,21-22,28H,2,12-18H2,1H3,(H,26,30)/p+1/t22-/m1/s1