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

Systemtic Name: [(2S,3S)-3-(4-butoxyphenyl)-3-oxidanyl-2-phenyl-pentyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-2-phenyl-pentyl]-methyl-ammonium CAS Name: [(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-2-phenylpentyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-2-phenylpentyl]-methylazanium Traditional Name: benzyl-[(2S,3S)-3-(4-butoxyphenyl)-3-hydroxy-2-phenyl-pentyl]-methyl-ammonium Formula: C29H38NO2+ MolecularWeight: 432.61752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H37NO2/c1-4-6-21-32-27-19-17-26(18-20-27)29(31,5-2)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