[(2S,3S)-3-(4-chlorophenyl)-3-oxidanyl-2-phenyl-hex-5-enyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2S,3S)-3-(4-chlorophenyl)-3-oxidanyl-2-phenyl-hex-5-enyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-chlorophenyl)-3-hydroxy-2-phenyl-hex-5-enyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-chlorophenyl)-3-hydroxy-2-phenylhex-5-enyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-chlorophenyl)-3-hydroxy-2-phenylhex-5-enyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-(4-chlorophenyl)-3-hydroxy-2-phenyl-hex-5-enyl]-methyl-ammonium Formula: C26H29ClNO+ MolecularWeight: 406.96756

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC(C2=CC=CC=C2)C(CC=C)(C3=CC=C(C=C3)Cl)O

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)C[C@H](C2=CC=CC=C2)[C@@](CC=C)(C3=CC=C(C=C3)Cl)O

InChI

InChI=1S/C26H28ClNO/c1-3-18-26(29,23-14-16-24(27)17-15-23)25(22-12-8-5-9-13-22)20-28(2)19-21-10-6-4-7-11-21/h3-17,25,29H,1,18-20H2,2H3/p+1/t25-,26-/m1/s1