(1,1-dimethylpiperidin-1-ium-2-yl)methyl 1H-indole-3-carboxylate bromide

Systemtic Name: (1,1-dimethylpiperidin-1-ium-2-yl)methyl 1H-indole-3-carboxylate bromide Openeye Name: (1,1-dimethylpiperidin-1-ium-2-yl)methyl 1H-indole-3-carboxylate bromide CAS Name: 1H-indole-3-carboxylic acid (1,1-dimethyl-2-piperidin-1-iumyl)methyl ester bromide IUPAC Name: (1,1-dimethylpiperidin-1-ium-2-yl)methyl 1H-indole-3-carboxylate bromide Traditional Name: 1H-indole-3-carboxylic acid (1,1-dimethylpiperidin-1-ium-2-yl)methyl ester bromide Formula: C17H23BrN2O2 MolecularWeight: 367.28072

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1COC(=O)C2=CNC3=CC=CC=C32)C.[Br-]

Isomeric SMILES

C[N+]1(CCCCC1COC(=O)C2=CNC3=CC=CC=C32)C.[Br-]

InChI

InChI=1S/C17H22N2O2.BrH/c1-19(2)10-6-5-7-13(19)12-21-17(20)15-11-18-16-9-4-3-8-14(15)16;/h3-4,8-9,11,13H,5-7,10,12H2,1-2H3;1H