methyl 5-[(2S)-2-(3-aminocarbonylpyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[(2S)-2-(3-aminocarbonylpyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(2S)-2-(3-carbamoylpyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-(3-carbamoyl-1-pyridin-1-iumyl)-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2S)-2-(3-carbamoylpyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(3-carbamoylpyridin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H20N3O4+ MolecularWeight: 330.3584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4/c1-9-13(17(23)24-4)10(2)19-14(9)15(21)11(3)20-7-5-6-12(8-20)16(18)22/h5-8,11H,1-4H3,(H2-,18,19,21,22,23)/p+1/t11-/m0/s1