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

Systemtic Name: 1-(1,1-dimethylpiperidin-1-ium-2-yl)ethyl 1H-indole-3-carboxylate bromide Openeye Name: 1-(1,1-dimethylpiperidin-1-ium-2-yl)ethyl 1H-indole-3-carboxylate bromide CAS Name: 1H-indole-3-carboxylic acid 1-(1,1-dimethyl-2-piperidin-1-iumyl)ethyl ester bromide IUPAC Name: 1-(1,1-dimethylpiperidin-1-ium-2-yl)ethyl 1H-indole-3-carboxylate bromide Traditional Name: 1H-indole-3-carboxylic acid 1-(1,1-dimethylpiperidin-1-ium-2-yl)ethyl ester bromide Formula: C18H25BrN2O2 MolecularWeight: 381.3073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCC[N+]1(C)C)OC(=O)C2=CNC3=CC=CC=C32.[Br-]

Isomeric SMILES

CC(C1CCCC[N+]1(C)C)OC(=O)C2=CNC3=CC=CC=C32.[Br-]

InChI

InChI=1S/C18H24N2O2.BrH/c1-13(17-10-6-7-11-20(17,2)3)22-18(21)15-12-19-16-9-5-4-8-14(15)16;/h4-5,8-9,12-13,17H,6-7,10-11H2,1-3H3;1H