(2S)-1-[4-(phenylmethyl)piperidin-1-ium-1-yl]-3-[(1R)-1-phenylpropoxy]propan-2-ol

Systemtic Name: (2S)-1-[4-(phenylmethyl)piperidin-1-ium-1-yl]-3-[(1R)-1-phenylpropoxy]propan-2-ol Openeye Name: (2S)-1-(4-benzylpiperidin-1-ium-1-yl)-3-[(1R)-1-phenylpropoxy]propan-2-ol CAS Name: (2S)-1-[4-(phenylmethyl)-1-piperidin-1-iumyl]-3-[(1R)-1-phenylpropoxy]-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperidin-1-ium-1-yl)-3-[(1R)-1-phenylpropoxy]propan-2-ol Traditional Name: (2S)-1-(4-benzylpiperidin-1-ium-1-yl)-3-[(1R)-1-phenylpropoxy]propan-2-ol Formula: C24H34NO2+ MolecularWeight: 368.53226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO2/c1-2-24(22-11-7-4-8-12-22)27-19-23(26)18-25-15-13-21(14-16-25)17-20-9-5-3-6-10-20/h3-12,21,23-24,26H,2,13-19H2,1H3/p+1/t23-,24+/m0/s1