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

Systemtic Name: [(2S,3S)-3-(4-ethoxyphenyl)-3-oxidanyl-2-phenyl-heptyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-2-phenyl-heptyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-2-phenylheptyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-2-phenylheptyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-hydroxy-2-phenyl-3-p-phenetyl-heptyl]-methyl-ammonium Formula: C29H38NO2+ MolecularWeight: 432.61752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37NO2/c1-4-6-21-29(31,26-17-19-27(20-18-26)32-5-2)28(25-15-11-8-12-16-25)23-30(3)22-24-13-9-7-10-14-24/h7-20,28,31H,4-6,21-23H2,1-3H3/p+1/t28-,29-/m1/s1