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

Systemtic Name: 2-hydroxyethyl-[(2S)-3-indol-1-yl-2-oxidanyl-propyl]-[(2R)-3-(4-methylphenoxy)-2-oxidanyl-propyl]azanium Openeye Name: 2-hydroxyethyl-[(2S)-2-hydroxy-3-indol-1-yl-propyl]-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]ammonium CAS Name: 2-hydroxyethyl-[(2S)-2-hydroxy-3-(1-indolyl)propyl]-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]ammonium IUPAC Name: 2-hydroxyethyl-[(2S)-2-hydroxy-3-indol-1-ylpropyl]-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]azanium Traditional Name: 2-hydroxyethyl-[(2S)-2-hydroxy-3-indol-1-yl-propyl]-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]ammonium Formula: C23H31N2O4+ MolecularWeight: 399.50324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(C[NH+](CCO)CC(CN2C=CC3=CC=CC=C32)O)O

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@@H](C[NH+](CCO)C[C@H](CN2C=CC3=CC=CC=C32)O)O

InChI

InChI=1S/C23H30N2O4/c1-18-6-8-22(9-7-18)29-17-21(28)15-24(12-13-26)14-20(27)16-25-11-10-19-4-2-3-5-23(19)25/h2-11,20-21,26-28H,12-17H2,1H3/p+1/t20-,21-/m1/s1