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

Systemtic Name: [(2S,3S)-3-(4-butoxyphenyl)-3-oxidanyl-2-phenyl-nonyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-2-phenyl-nonyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-2-phenylnonyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-2-phenylnonyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-2-phenyl-nonyl]-methyl-ammonium Formula: C33H46NO2+ MolecularWeight: 488.72384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H45NO2/c1-4-6-8-15-24-33(35,30-20-22-31(23-21-30)36-25-7-5-2)32(29-18-13-10-14-19-29)27-34(3)26-28-16-11-9-12-17-28/h9-14,16-23,32,35H,4-8,15,24-27H2,1-3H3/p+1/t32-,33-/m1/s1