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

Systemtic Name: [(2S,3S)-3-(4-butoxyphenyl)-4-methyl-3-oxidanyl-2-phenyl-pentyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-4-methyl-2-phenyl-pentyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-4-methyl-2-phenylpentyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-4-methyl-2-phenylpentyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-4-methyl-2-phenyl-pentyl]-methyl-ammonium Formula: C30H40NO2+ MolecularWeight: 446.6441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(C(C)C)(C(C[NH+](C)CC2=CC=CC=C2)C3=CC=CC=C3)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@@]([C@H](C[NH+](C)CC2=CC=CC=C2)C3=CC=CC=C3)(C(C)C)O

InChI

InChI=1S/C30H39NO2/c1-5-6-21-33-28-19-17-27(18-20-28)30(32,24(2)3)29(26-15-11-8-12-16-26)23-31(4)22-25-13-9-7-10-14-25/h7-20,24,29,32H,5-6,21-23H2,1-4H3/p+1/t29-,30-/m1/s1