(2S,3R)-3-(4-methoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-hexan-3-ol

Systemtic Name: (2S,3R)-3-(4-methoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3R)-3-(4-methoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3R)-3-(4-methoxyphenyl)-2-phenyl-1-(1-piperidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3R)-3-(4-methoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3R)-3-(4-methoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-hexan-3-ol Formula: C24H34NO2+ MolecularWeight: 368.53226

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)OC)(C(C[NH+]2CCCCC2)C3=CC=CC=C3)O

Isomeric SMILES

CCC[C@](C1=CC=C(C=C1)OC)([C@H](C[NH+]2CCCCC2)C3=CC=CC=C3)O

InChI

InChI=1S/C24H33NO2/c1-3-16-24(26,21-12-14-22(27-2)15-13-21)23(20-10-6-4-7-11-20)19-25-17-8-5-9-18-25/h4,6-7,10-15,23,26H,3,5,8-9,16-19H2,1-2H3/p+1/t23-,24+/m1/s1