ethyl 1-(1-methylpyridin-1-ium-2-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(1-methylpyridin-1-ium-2-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(1-methylpyridin-1-ium-2-yl)piperidine-4-carboxylate CAS Name: 1-(1-methyl-2-pyridin-1-iumyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-methylpyridin-1-ium-2-yl)piperidine-4-carboxylate Traditional Name: 1-(1-methylpyridin-1-ium-2-yl)isonipecotic acid ethyl ester Formula: C14H21N2O2+ MolecularWeight: 249.32874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CC=CC=[N+]2C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CC=CC=[N+]2C

InChI

InChI=1S/C14H21N2O2/c1-3-18-14(17)12-7-10-16(11-8-12)13-6-4-5-9-15(13)2/h4-6,9,12H,3,7-8,10-11H2,1-2H3/q+1