(2R)-2-(5-phenylmethoxy-1H-indol-3-yl)-2-thiomorpholin-4-ium-4-yl-ethanoate

Systemtic Name: (2R)-2-(5-phenylmethoxy-1H-indol-3-yl)-2-thiomorpholin-4-ium-4-yl-ethanoate Openeye Name: (2R)-2-(5-benzyloxy-1H-indol-3-yl)-2-thiomorpholin-4-ium-4-yl-acetate CAS Name: (2R)-2-(5-phenylmethoxy-1H-indol-3-yl)-2-(4-thiomorpholin-4-iumyl)acetate IUPAC Name: (2R)-2-(5-phenylmethoxy-1H-indol-3-yl)-2-thiomorpholin-4-ium-4-ylacetate Traditional Name: (2R)-2-(5-benzoxy-1H-indol-3-yl)-2-thiomorpholin-4-ium-4-yl-acetate Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1CSCC[NH+]1[C@H](C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C21H22N2O3S/c24-21(25)20(23-8-10-27-11-9-23)18-13-22-19-7-6-16(12-17(18)19)26-14-15-4-2-1-3-5-15/h1-7,12-13,20,22H,8-11,14H2,(H,24,25)/t20-/m1/s1