2-hydroxyethyl-[(2S)-3-indol-1-yl-2-oxidanyl-propyl]-[(2S)-2-oxidanyl-3-(4-phenylmethoxyphenoxy)propyl]azanium

Systemtic Name: 2-hydroxyethyl-[(2S)-3-indol-1-yl-2-oxidanyl-propyl]-[(2S)-2-oxidanyl-3-(4-phenylmethoxyphenoxy)propyl]azanium Openeye Name: [(2S)-3-(4-benzyloxyphenoxy)-2-hydroxy-propyl]-(2-hydroxyethyl)-[(2S)-2-hydroxy-3-indol-1-yl-propyl]ammonium CAS Name: 2-hydroxyethyl-[(2S)-2-hydroxy-3-(1-indolyl)propyl]-[(2S)-2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]ammonium IUPAC Name: 2-hydroxyethyl-[(2S)-2-hydroxy-3-indol-1-ylpropyl]-[(2S)-2-hydroxy-3-(4-phenylmethoxyphenoxy)propyl]azanium Traditional Name: [(2S)-3-(4-benzoxyphenoxy)-2-hydroxy-propyl]-(2-hydroxyethyl)-[(2S)-2-hydroxy-3-indol-1-yl-propyl]ammonium Formula: C29H35N2O5+ MolecularWeight: 491.5986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)OCC(C[NH+](CCO)CC(CN3C=CC4=CC=CC=C43)O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)OC[C@H](C[NH+](CCO)C[C@H](CN3C=CC4=CC=CC=C43)O)O

InChI

InChI=1S/C29H34N2O5/c32-17-16-30(18-25(33)20-31-15-14-24-8-4-5-9-29(24)31)19-26(34)22-36-28-12-10-27(11-13-28)35-21-23-6-2-1-3-7-23/h1-15,25-26,32-34H,16-22H2/p+1/t25-,26+/m1/s1