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

Systemtic Name: (2R)-2-(6-bromanyl-1H-indol-3-yl)-2-piperidin-1-ium-1-yl-ethanoate Openeye Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-piperidin-1-ium-1-yl-acetate CAS Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-(1-piperidin-1-iumyl)acetate IUPAC Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-piperidin-1-ium-1-ylacetate Traditional Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-piperidin-1-ium-1-yl-acetate Formula: C15H17BrN2O2 MolecularWeight: 337.21168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C2=CNC3=C2C=CC(=C3)Br)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)[C@H](C2=CNC3=C2C=CC(=C3)Br)C(=O)[O-]

InChI

InChI=1S/C15H17BrN2O2/c16-10-4-5-11-12(9-17-13(11)8-10)14(15(19)20)18-6-2-1-3-7-18/h4-5,8-9,14,17H,1-3,6-7H2,(H,19,20)/t14-/m1/s1