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

Systemtic Name: (2R,3S)-2-(4-chlorophenyl)-1,3-diphenyl-4-piperidin-1-ium-1-yl-butan-2-ol Openeye Name: (2R,3S)-2-(4-chlorophenyl)-1,3-diphenyl-4-piperidin-1-ium-1-yl-butan-2-ol CAS Name: (2R,3S)-2-(4-chlorophenyl)-1,3-diphenyl-4-(1-piperidin-1-iumyl)-2-butanol IUPAC Name: (2R,3S)-2-(4-chlorophenyl)-1,3-diphenyl-4-piperidin-1-ium-1-ylbutan-2-ol Traditional Name: (2R,3S)-2-(4-chlorophenyl)-1,3-diphenyl-4-piperidin-1-ium-1-yl-butan-2-ol Formula: C27H31ClNO+ MolecularWeight: 420.99414

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(C2=CC=CC=C2)C(CC3=CC=CC=C3)(C4=CC=C(C=C4)Cl)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@H](C2=CC=CC=C2)[C@](CC3=CC=CC=C3)(C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C27H30ClNO/c28-25-16-14-24(15-17-25)27(30,20-22-10-4-1-5-11-22)26(23-12-6-2-7-13-23)21-29-18-8-3-9-19-29/h1-2,4-7,10-17,26,30H,3,8-9,18-21H2/p+1/t26-,27+/m1/s1