1-(1-methylpyridin-1-ium-4-yl)piperidin-1-ium-1-carboxylic acid

Systemtic Name: 1-(1-methylpyridin-1-ium-4-yl)piperidin-1-ium-1-carboxylic acid Openeye Name: 1-(1-methylpyridin-1-ium-4-yl)piperidin-1-ium-1-carboxylic acid CAS Name: 1-(1-methyl-4-pyridin-1-iumyl)-1-piperidin-1-iumcarboxylic acid IUPAC Name: 1-(1-methylpyridin-1-ium-4-yl)piperidin-1-ium-1-carboxylic acid Traditional Name: 1-(1-methylpyridin-1-ium-4-yl)piperidin-1-ium-1-carboxylic acid Formula: C12H18N2O2+2 MolecularWeight: 222.28352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)[N+]2(CCCCC2)C(=O)O

Isomeric SMILES

C[N+]1=CC=C(C=C1)[N+]2(CCCCC2)C(=O)O

InChI

InChI=1S/C12H17N2O2/c1-13-7-5-11(6-8-13)14(12(15)16)9-3-2-4-10-14/h5-8H,2-4,9-10H2,1H3/q+1/p+1