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

Systemtic Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-piperidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-piperidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-(1-piperidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-piperidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-piperidin-1-ium-1-yl-hexan-3-ol Formula: C24H33ClNO2+ MolecularWeight: 402.97732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32ClNO2/c1-3-15-24(27,20-9-13-22(28-2)14-10-20)23(18-26-16-5-4-6-17-26)19-7-11-21(25)12-8-19/h7-14,23,27H,3-6,15-18H2,1-2H3/p+1/t23-,24-/m1/s1