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

Systemtic Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 1-(phenylmethyl)indole-2-carboxylate iodide Openeye Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 1-benzylindole-2-carboxylate iodide CAS Name: 1-(phenylmethyl)-2-indolecarboxylic acid 2-(1-methyl-1-piperidin-1-iumyl)ethyl ester iodide IUPAC Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 1-benzylindole-2-carboxylate iodide Traditional Name: 1-benzylindole-2-carboxylic acid 2-(1-methylpiperidin-1-ium-1-yl)ethyl ester iodide Formula: C24H29IN2O2 MolecularWeight: 504.40373

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCOC(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1(CCCCC1)CCOC(=O)C2=CC3=CC=CC=C3N2CC4=CC=CC=C4.[I-]

InChI

InChI=1S/C24H29N2O2.HI/c1-26(14-8-3-9-15-26)16-17-28-24(27)23-18-21-12-6-7-13-22(21)25(23)19-20-10-4-2-5-11-20;/h2,4-7,10-13,18H,3,8-9,14-17,19H2,1H3;1H/q+1;/p-1