[(2S,3S)-3-(4-butoxyphenyl)-5-methyl-3-oxidanyl-2-phenyl-hexyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2S,3S)-3-(4-butoxyphenyl)-5-methyl-3-oxidanyl-2-phenyl-hexyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-5-methyl-2-phenyl-hexyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-5-methyl-2-phenylhexyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-5-methyl-2-phenylhexyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-5-methyl-2-phenyl-hexyl]-methyl-ammonium Formula: C31H42NO2+ MolecularWeight: 460.67068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(CC(C)C)(C(C[NH+](C)CC2=CC=CC=C2)C3=CC=CC=C3)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@](CC(C)C)([C@H](C[NH+](C)CC2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C31H41NO2/c1-5-6-21-34-29-19-17-28(18-20-29)31(33,22-25(2)3)30(27-15-11-8-12-16-27)24-32(4)23-26-13-9-7-10-14-26/h7-20,25,30,33H,5-6,21-24H2,1-4H3/p+1/t30-,31-/m1/s1