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

Systemtic Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-piperidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-piperidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-(1-piperidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-piperidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3S)-2-(4-chlorophenyl)-1-piperidin-1-ium-1-yl-3-p-phenetyl-pentan-3-ol Formula: C24H33ClNO2+ MolecularWeight: 402.97732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32ClNO2/c1-3-24(27,20-10-14-22(15-11-20)28-4-2)23(18-26-16-6-5-7-17-26)19-8-12-21(25)13-9-19/h8-15,23,27H,3-7,16-18H2,1-2H3/p+1/t23-,24-/m1/s1