(2S,3R)-3-(4-chlorophenyl)-2,6-diphenyl-1-piperidin-1-ium-1-yl-hexan-3-ol

Systemtic Name: (2S,3R)-3-(4-chlorophenyl)-2,6-diphenyl-1-piperidin-1-ium-1-yl-hexan-3-ol Openeye Name: (2S,3R)-3-(4-chlorophenyl)-2,6-diphenyl-1-piperidin-1-ium-1-yl-hexan-3-ol CAS Name: (2S,3R)-3-(4-chlorophenyl)-2,6-diphenyl-1-(1-piperidin-1-iumyl)-3-hexanol IUPAC Name: (2S,3R)-3-(4-chlorophenyl)-2,6-diphenyl-1-piperidin-1-ium-1-ylhexan-3-ol Traditional Name: (2S,3R)-3-(4-chlorophenyl)-2,6-diphenyl-1-piperidin-1-ium-1-yl-hexan-3-ol Formula: C29H35ClNO+ MolecularWeight: 449.0473

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(C2=CC=CC=C2)C(CCCC3=CC=CC=C3)(C4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@H](C2=CC=CC=C2)[C@](CCCC3=CC=CC=C3)(C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C29H34ClNO/c30-27-18-16-26(17-19-27)29(32,20-10-13-24-11-4-1-5-12-24)28(25-14-6-2-7-15-25)23-31-21-8-3-9-22-31/h1-2,4-7,11-12,14-19,28,32H,3,8-10,13,20-23H2/p+1/t28-,29+/m1/s1