2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 1-(phenylmethyl)indole-2-carboxylate iodide

Systemtic Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 1-(phenylmethyl)indole-2-carboxylate iodide Openeye Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 1-benzylindole-2-carboxylate iodide CAS Name: 1-(phenylmethyl)-2-indolecarboxylic acid 2-(1-methyl-1-pyrrolidin-1-iumyl)ethyl ester iodide IUPAC Name: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 1-benzylindole-2-carboxylate iodide Traditional Name: 1-benzylindole-2-carboxylic acid 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl ester iodide Formula: C23H27IN2O2 MolecularWeight: 490.37715

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CCOC(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1(CCCC1)CCOC(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC=C4.[I-]

InChI

InChI=1S/C23H27N2O2.HI/c1-25(13-7-8-14-25)15-16-27-23(26)22-17-20-11-5-6-12-21(20)24(22)18-19-9-3-2-4-10-19;/h2-6,9-12,17H,7-8,13-16,18H2,1H3;1H/q+1;/p-1