2-(1-methylpiperidin-1-ium-1-yl)ethyl 1-phenylindole-2-carboxylate

Systemtic Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 1-phenylindole-2-carboxylate Openeye Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 1-phenylindole-2-carboxylate CAS Name: 1-phenyl-2-indolecarboxylic acid 2-(1-methyl-1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 1-phenylindole-2-carboxylate Traditional Name: 1-phenylindole-2-carboxylic acid 2-(1-methylpiperidin-1-ium-1-yl)ethyl ester Formula: C23H27N2O2+ MolecularWeight: 363.47268

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCOC(=O)C2=CC3=CC=CC=C3N2C4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCCCC1)CCOC(=O)C2=CC3=CC=CC=C3N2C4=CC=CC=C4

InChI

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