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

Systemtic Name: 1-(1,1-dimethylpiperidin-1-ium-2-yl)ethyl 1H-indole-3-carboxylate iodide Openeye Name: 1-(1,1-dimethylpiperidin-1-ium-2-yl)ethyl 1H-indole-3-carboxylate iodide CAS Name: 1H-indole-3-carboxylic acid 1-(1,1-dimethyl-2-piperidin-1-iumyl)ethyl ester iodide IUPAC Name: 1-(1,1-dimethylpiperidin-1-ium-2-yl)ethyl 1H-indole-3-carboxylate iodide Traditional Name: 1H-indole-3-carboxylic acid 1-(1,1-dimethylpiperidin-1-ium-2-yl)ethyl ester iodide Formula: C18H25IN2O2 MolecularWeight: 428.30777

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O2.HI/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