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

Systemtic Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-piperidin-1-ium-1-yl-pentan-3-ol Openeye Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-piperidin-1-ium-1-yl-pentan-3-ol CAS Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-(1-piperidin-1-iumyl)-3-pentanol IUPAC Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-piperidin-1-ium-1-ylpentan-3-ol Traditional Name: (2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)-1-piperidin-1-ium-1-yl-pentan-3-ol Formula: C23H31ClNO2+ MolecularWeight: 388.95074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClNO2/c1-3-23(26,19-9-13-21(27-2)14-10-19)22(17-25-15-5-4-6-16-25)18-7-11-20(24)12-8-18/h7-14,22,26H,3-6,15-17H2,1-2H3/p+1/t22-,23-/m1/s1