[(2S,3S)-3-(4-chlorophenyl)-3-cyclohexyl-3-oxidanyl-2-phenyl-propyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2S,3S)-3-(4-chlorophenyl)-3-cyclohexyl-3-oxidanyl-2-phenyl-propyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-chlorophenyl)-3-cyclohexyl-3-hydroxy-2-phenyl-propyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-chlorophenyl)-3-cyclohexyl-3-hydroxy-2-phenylpropyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-chlorophenyl)-3-cyclohexyl-3-hydroxy-2-phenylpropyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-(4-chlorophenyl)-3-cyclohexyl-3-hydroxy-2-phenyl-propyl]-methyl-ammonium Formula: C29H35ClNO+ MolecularWeight: 449.0473

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(C2=CC=CC=C2)C(C3CCCCC3)(C4=CC=C(C=C4)Cl)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)C[C@H](C2=CC=CC=C2)[C@@](C3CCCCC3)(C4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C29H34ClNO/c1-31(21-23-11-5-2-6-12-23)22-28(24-13-7-3-8-14-24)29(32,25-15-9-4-10-16-25)26-17-19-27(30)20-18-26/h2-3,5-8,11-14,17-20,25,28,32H,4,9-10,15-16,21-22H2,1H3/p+1/t28-,29-/m1/s1