[1-(2-hydroxyethyl)piperidin-4-yl] 1,1-dimethylindol-1-ium-3-carboxylate

Systemtic Name: [1-(2-hydroxyethyl)piperidin-4-yl] 1,1-dimethylindol-1-ium-3-carboxylate Openeye Name: [1-(2-hydroxyethyl)-4-piperidyl] 1,1-dimethylindol-1-ium-3-carboxylate CAS Name: 1,1-dimethyl-3-indol-1-iumcarboxylic acid [1-(2-hydroxyethyl)-4-piperidinyl] ester IUPAC Name: [1-(2-hydroxyethyl)piperidin-4-yl] 1,1-dimethylindol-1-ium-3-carboxylate Traditional Name: 1,1-dimethylindol-1-ium-3-carboxylic acid [1-(2-hydroxyethyl)-4-piperidyl] ester Formula: C18H25N2O3+ MolecularWeight: 317.4027

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=C(C2=CC=CC=C21)C(=O)OC3CCN(CC3)CCO)C

Isomeric SMILES

C[N+]1(C=C(C2=CC=CC=C21)C(=O)OC3CCN(CC3)CCO)C

InChI

InChI=1S/C18H25N2O3/c1-20(2)13-16(15-5-3-4-6-17(15)20)18(22)23-14-7-9-19(10-8-14)11-12-21/h3-6,13-14,21H,7-12H2,1-2H3/q+1