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

Systemtic Name: [(2S,3R)-3-(4-ethoxyphenyl)-3-oxidanyl-2-phenyl-nonyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3R)-3-(4-ethoxyphenyl)-3-hydroxy-2-phenyl-nonyl]-methyl-ammonium CAS Name: [(2S,3R)-3-(4-ethoxyphenyl)-3-hydroxy-2-phenylnonyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3R)-3-(4-ethoxyphenyl)-3-hydroxy-2-phenylnonyl]-methylazanium Traditional Name: benzyl-[(2S,3R)-3-hydroxy-2-phenyl-3-p-phenetyl-nonyl]-methyl-ammonium Formula: C31H42NO2+ MolecularWeight: 460.67068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H41NO2/c1-4-6-7-14-23-31(33,28-19-21-29(22-20-28)34-5-2)30(27-17-12-9-13-18-27)25-32(3)24-26-15-10-8-11-16-26/h8-13,15-22,30,33H,4-7,14,23-25H2,1-3H3/p+1/t30-,31+/m1/s1