[(2S)-3-indol-1-yl-2-oxidanyl-propyl]-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-(phenylmethyl)azanium

Systemtic Name: [(2S)-3-indol-1-yl-2-oxidanyl-propyl]-[(2R)-3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2S)-2-hydroxy-3-indol-1-yl-propyl]-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(1-indolyl)propyl]-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-2-hydroxy-3-indol-1-ylpropyl]-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]azanium Traditional Name: benzyl-[(2S)-2-hydroxy-3-indol-1-yl-propyl]-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]ammonium Formula: C28H33N2O4+ MolecularWeight: 461.57262

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(C[NH+](CC2=CC=CC=C2)CC(CN3C=CC4=CC=CC=C43)O)O

Isomeric SMILES

COC1=CC=C(C=C1)OC[C@@H](C[NH+](CC2=CC=CC=C2)C[C@H](CN3C=CC4=CC=CC=C43)O)O

InChI

InChI=1S/C28H32N2O4/c1-33-26-11-13-27(14-12-26)34-21-25(32)19-29(17-22-7-3-2-4-8-22)18-24(31)20-30-16-15-23-9-5-6-10-28(23)30/h2-16,24-25,31-32H,17-21H2,1H3/p+1/t24-,25-/m1/s1