[(2S,3S)-3-(4-ethoxyphenyl)-6-methyl-3-oxidanyl-2-phenyl-heptyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2S,3S)-3-(4-ethoxyphenyl)-6-methyl-3-oxidanyl-2-phenyl-heptyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-6-methyl-2-phenyl-heptyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-6-methyl-2-phenylheptyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-ethoxyphenyl)-3-hydroxy-6-methyl-2-phenylheptyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-hydroxy-6-methyl-2-phenyl-3-p-phenetyl-heptyl]-methyl-ammonium Formula: C30H40NO2+ MolecularWeight: 446.6441

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CCC(C)C)(C(C[NH+](C)CC2=CC=CC=C2)C3=CC=CC=C3)O

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@](CCC(C)C)([C@H](C[NH+](C)CC2=CC=CC=C2)C3=CC=CC=C3)O

InChI

InChI=1S/C30H39NO2/c1-5-33-28-18-16-27(17-19-28)30(32,21-20-24(2)3)29(26-14-10-7-11-15-26)23-31(4)22-25-12-8-6-9-13-25/h6-19,24,29,32H,5,20-23H2,1-4H3/p+1/t29-,30-/m1/s1