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

Systemtic Name: (2R)-2-(6-bromanyl-1H-indol-3-yl)-2-pyrrolidin-1-ium-1-yl-ethanoate Openeye Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-pyrrolidin-1-ium-1-yl-acetate CAS Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-(1-pyrrolidin-1-iumyl)acetate IUPAC Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-pyrrolidin-1-ium-1-ylacetate Traditional Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-pyrrolidin-1-ium-1-yl-acetate Formula: C14H15BrN2O2 MolecularWeight: 323.1851

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(C2=CNC3=C2C=CC(=C3)Br)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)[C@H](C2=CNC3=C2C=CC(=C3)Br)C(=O)[O-]

InChI

InChI=1S/C14H15BrN2O2/c15-9-3-4-10-11(8-16-12(10)7-9)13(14(18)19)17-5-1-2-6-17/h3-4,7-8,13,16H,1-2,5-6H2,(H,18,19)/t13-/m1/s1