(2R)-2-(6-bromanyl-1H-indol-3-yl)-2-thiomorpholin-4-ium-4-yl-ethanoate

Systemtic Name: (2R)-2-(6-bromanyl-1H-indol-3-yl)-2-thiomorpholin-4-ium-4-yl-ethanoate Openeye Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-thiomorpholin-4-ium-4-yl-acetate CAS Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-(4-thiomorpholin-4-iumyl)acetate IUPAC Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-thiomorpholin-4-ium-4-ylacetate Traditional Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-thiomorpholin-4-ium-4-yl-acetate Formula: C14H15BrN2O2S MolecularWeight: 355.2501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15BrN2O2S/c15-9-1-2-10-11(8-16-12(10)7-9)13(14(18)19)17-3-5-20-6-4-17/h1-2,7-8,13,16H,3-6H2,(H,18,19)/t13-/m1/s1