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

Systemtic Name: [(2S)-3-indol-1-yl-2-oxidanyl-propyl]-[(2R)-3-methoxy-2-oxidanyl-propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2S)-2-hydroxy-3-indol-1-yl-propyl]-[(2R)-2-hydroxy-3-methoxy-propyl]ammonium CAS Name: [(2S)-2-hydroxy-3-(1-indolyl)propyl]-[(2R)-2-hydroxy-3-methoxypropyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2S)-2-hydroxy-3-indol-1-ylpropyl]-[(2R)-2-hydroxy-3-methoxypropyl]azanium Traditional Name: benzyl-[(2S)-2-hydroxy-3-indol-1-yl-propyl]-[(2R)-2-hydroxy-3-methoxy-propyl]ammonium Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3/c1-27-17-21(26)15-23(13-18-7-3-2-4-8-18)14-20(25)16-24-12-11-19-9-5-6-10-22(19)24/h2-12,20-21,25-26H,13-17H2,1H3/p+1/t20-,21-/m1/s1