N-[4-[(2S)-2-oxidanyl-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propoxy]phenyl]ethanamide

Systemtic Name: N-[4-[(2S)-2-oxidanyl-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propoxy]phenyl]ethanamide Openeye Name: N-[4-[(2S)-3-(4-benzylpiperidin-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]acetamide CAS Name: N-[4-[(2S)-2-hydroxy-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]propoxy]phenyl]acetamide IUPAC Name: N-[4-[(2S)-3-(4-benzylpiperidin-1-ium-1-yl)-2-hydroxypropoxy]phenyl]acetamide Traditional Name: N-[4-[(2S)-3-(4-benzylpiperidin-1-ium-1-yl)-2-hydroxy-propoxy]phenyl]acetamide Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OCC(C[NH+]2CCC(CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC[C@H](C[NH+]2CCC(CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C23H30N2O3/c1-18(26)24-21-7-9-23(10-8-21)28-17-22(27)16-25-13-11-20(12-14-25)15-19-5-3-2-4-6-19/h2-10,20,22,27H,11-17H2,1H3,(H,24,26)/p+1/t22-/m0/s1