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

Systemtic Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 1-(phenylmethyl)indole-2-carboxylate Openeye Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 1-benzylindole-2-carboxylate CAS Name: 1-(phenylmethyl)-2-indolecarboxylic acid 2-(1-methyl-1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 1-benzylindole-2-carboxylate Traditional Name: 1-benzylindole-2-carboxylic acid 2-(1-methylpiperidin-1-ium-1-yl)ethyl ester Formula: C24H29N2O2+ MolecularWeight: 377.49926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N2O2/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/q+1