2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 1-phenylindole-2-carboxylate iodide

Systemtic Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 1-phenylindole-2-carboxylate iodide Openeye Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 1-phenylindole-2-carboxylate iodide CAS Name: 1-phenyl-2-indolecarboxylic acid 2-(1-methyl-1-pyrrolidin-1-iumyl)ethyl ester iodide IUPAC Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 1-phenylindole-2-carboxylate iodide Traditional Name: 1-phenylindole-2-carboxylic acid 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl ester iodide Formula: C22H25IN2O2 MolecularWeight: 476.35057

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CCOC(=O)C2=CC3=CC=CC=C3N2C4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1(CCCC1)CCOC(=O)C2=CC3=CC=CC=C3N2C4=CC=CC=C4.[I-]

InChI

InChI=1S/C22H25N2O2.HI/c1-24(13-7-8-14-24)15-16-26-22(25)21-17-18-9-5-6-12-20(18)23(21)19-10-3-2-4-11-19;/h2-6,9-12,17H,7-8,13-16H2,1H3;1H/q+1;/p-1