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

Systemtic Name: (2S,3S)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-1-phenyl-4-piperidin-1-ium-1-yl-butan-2-ol Openeye Name: (2S,3S)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-1-phenyl-4-piperidin-1-ium-1-yl-butan-2-ol CAS Name: (2S,3S)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-1-phenyl-4-(1-piperidin-1-iumyl)-2-butanol IUPAC Name: (2S,3S)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-1-phenyl-4-piperidin-1-ium-1-ylbutan-2-ol Traditional Name: (2S,3S)-3-(4-chlorophenyl)-2-(4-methoxyphenyl)-1-phenyl-4-piperidin-1-ium-1-yl-butan-2-ol Formula: C28H33ClNO2+ MolecularWeight: 451.02012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC2=CC=CC=C2)(C(C[NH+]3CCCCC3)C4=CC=C(C=C4)Cl)O

Isomeric SMILES

COC1=CC=C(C=C1)[C@](CC2=CC=CC=C2)([C@H](C[NH+]3CCCCC3)C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C28H32ClNO2/c1-32-26-16-12-24(13-17-26)28(31,20-22-8-4-2-5-9-22)27(21-30-18-6-3-7-19-30)23-10-14-25(29)15-11-23/h2,4-5,8-17,27,31H,3,6-7,18-21H2,1H3/p+1/t27-,28-/m1/s1