methyl 5-[(6-methylpyridin-1-ium-2-yl)carbamoyl]-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 5-[(6-methylpyridin-1-ium-2-yl)carbamoyl]-1H-pyrrole-2-carboxylate Openeye Name: methyl 5-[(6-methylpyridin-1-ium-2-yl)carbamoyl]-1H-pyrrole-2-carboxylate CAS Name: 5-[[(6-methyl-2-pyridin-1-iumyl)amino]-oxomethyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[(6-methylpyridin-1-ium-2-yl)carbamoyl]-1H-pyrrole-2-carboxylate Traditional Name: 5-[(6-methylpyridin-1-ium-2-yl)carbamoyl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C13H14N3O3+ MolecularWeight: 260.26856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=CC=C1)NC(=O)C2=CC=C(N2)C(=O)OC

Isomeric SMILES

CC1=[NH+]C(=CC=C1)NC(=O)C2=CC=C(N2)C(=O)OC

InChI

InChI=1S/C13H13N3O3/c1-8-4-3-5-11(14-8)16-12(17)9-6-7-10(15-9)13(18)19-2/h3-7,15H,1-2H3,(H,14,16,17)/p+1