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

Systemtic Name: [(2S,3S)-3-(4-butoxyphenyl)-3-oxidanyl-2-phenyl-octyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-2-phenyl-octyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-2-phenyloctyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-2-phenyloctyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-2-phenyl-octyl]-methyl-ammonium Formula: C32H44NO2+ MolecularWeight: 474.69726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H43NO2/c1-4-6-14-23-32(34,29-19-21-30(22-20-29)35-24-7-5-2)31(28-17-12-9-13-18-28)26-33(3)25-27-15-10-8-11-16-27/h8-13,15-22,31,34H,4-7,14,23-26H2,1-3H3/p+1/t31-,32-/m1/s1