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

Systemtic Name: ethyl 4-(1-methylpyridin-1-ium-2-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(1-methylpyridin-1-ium-2-yl)piperazine-1-carboxylate CAS Name: 4-(1-methyl-2-pyridin-1-iumyl)-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-methylpyridin-1-ium-2-yl)piperazine-1-carboxylate Traditional Name: 4-(1-methylpyridin-1-ium-2-yl)piperazine-1-carboxylic acid ethyl ester Formula: C13H20N3O2+ MolecularWeight: 250.3168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=CC=CC=[N+]2C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=CC=CC=[N+]2C

InChI

InChI=1S/C13H20N3O2/c1-3-18-13(17)16-10-8-15(9-11-16)12-6-4-5-7-14(12)2/h4-7H,3,8-11H2,1-2H3/q+1