(2S,3R)-3-(4-ethoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-pentan-3-ol

Systemtic Name: (2S,3R)-3-(4-ethoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3R)-3-(4-ethoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3R)-3-(4-ethoxyphenyl)-2-phenyl-1-(1-piperidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3R)-3-(4-ethoxyphenyl)-2-phenyl-1-piperidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3R)-2-phenyl-1-piperidin-1-ium-1-yl-3-p-phenetyl-pentan-3-ol Formula: C24H34NO2+ MolecularWeight: 368.53226

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)OCC)(C(C[NH+]2CCCCC2)C3=CC=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C24H33NO2/c1-3-24(26,21-13-15-22(16-14-21)27-4-2)23(20-11-7-5-8-12-20)19-25-17-9-6-10-18-25/h5,7-8,11-16,23,26H,3-4,6,9-10,17-19H2,1-2H3/p+1/t23-,24+/m1/s1