[(2S,3S)-3-(4-butoxyphenyl)-3-oxidanyl-2,5-diphenyl-pentyl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(2S,3S)-3-(4-butoxyphenyl)-3-oxidanyl-2,5-diphenyl-pentyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-2,5-diphenyl-pentyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-2,5-diphenylpentyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-2,5-diphenylpentyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-2,5-diphenyl-pentyl]-methyl-ammonium Formula: C35H42NO2+ MolecularWeight: 508.71348

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(CCC2=CC=CC=C2)(C(C[NH+](C)CC3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@](CCC2=CC=CC=C2)([C@H](C[NH+](C)CC3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C35H41NO2/c1-3-4-26-38-33-22-20-32(21-23-33)35(37,25-24-29-14-8-5-9-15-29)34(31-18-12-7-13-19-31)28-36(2)27-30-16-10-6-11-17-30/h5-23,34,37H,3-4,24-28H2,1-2H3/p+1/t34-,35-/m1/s1