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

Systemtic Name: [1-(2-cyanoethyl)piperidin-4-yl] 1,1-dimethylindol-1-ium-3-carboxylate Openeye Name: [1-(2-cyanoethyl)-4-piperidyl] 1,1-dimethylindol-1-ium-3-carboxylate CAS Name: 1,1-dimethyl-3-indol-1-iumcarboxylic acid [1-(2-cyanoethyl)-4-piperidinyl] ester IUPAC Name: [1-(2-cyanoethyl)piperidin-4-yl] 1,1-dimethylindol-1-ium-3-carboxylate Traditional Name: 1,1-dimethylindol-1-ium-3-carboxylic acid [1-(2-cyanoethyl)-4-piperidyl] ester Formula: C19H24N3O2+ MolecularWeight: 326.41276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N3O2/c1-22(2)14-17(16-6-3-4-7-18(16)22)19(23)24-15-8-12-21(13-9-15)11-5-10-20/h3-4,6-7,14-15H,5,8-9,11-13H2,1-2H3/q+1