methyl 5-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H22N3O3+ MolecularWeight: 316.37488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[N+]2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[N+]2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C17H21N3O3/c1-11-15(17(22)23-5)12(2)18-16(11)14(21)10-20-8-6-13(7-9-20)19(3)4/h6-9H,10H2,1-5H3/p+1