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

Systemtic Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-piperidin-1-ium-1-yl-octan-3-ol Openeye Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-piperidin-1-ium-1-yl-octan-3-ol CAS Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-(1-piperidin-1-iumyl)-3-octanol IUPAC Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-ethoxyphenyl)-1-piperidin-1-ium-1-yloctan-3-ol Traditional Name: (2S,3S)-2-(4-chlorophenyl)-1-piperidin-1-ium-1-yl-3-p-phenetyl-octan-3-ol Formula: C27H39ClNO2+ MolecularWeight: 445.05706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H38ClNO2/c1-3-5-7-18-27(30,23-12-16-25(17-13-23)31-4-2)26(21-29-19-8-6-9-20-29)22-10-14-24(28)15-11-22/h10-17,26,30H,3-9,18-21H2,1-2H3/p+1/t26-,27-/m1/s1