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

Systemtic Name: [(2S,3S)-3-(4-butoxyphenyl)-6-methyl-3-oxidanyl-2-phenyl-heptyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-6-methyl-2-phenyl-heptyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-6-methyl-2-phenylheptyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-6-methyl-2-phenylheptyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-6-methyl-2-phenyl-heptyl]-methyl-ammonium Formula: C32H44NO2+ MolecularWeight: 474.69726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC1=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/C32H43NO2/c1-5-6-23-35-30-19-17-29(18-20-30)32(34,22-21-26(2)3)31(28-15-11-8-12-16-28)25-33(4)24-27-13-9-7-10-14-27/h7-20,26,31,34H,5-6,21-25H2,1-4H3/p+1/t31-,32-/m1/s1