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

Systemtic Name: methyl 5-[2-(4-ethanoylpiperazin-1-ium-1-yl)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(4-acetyl-1-piperazin-1-iumyl)-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C16H24N3O4+ MolecularWeight: 322.37946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+]2CCN(CC2)C(=O)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C[NH+]2CCN(CC2)C(=O)C

InChI

InChI=1S/C16H23N3O4/c1-10-14(16(22)23-4)11(2)17-15(10)13(21)9-18-5-7-19(8-6-18)12(3)20/h17H,5-9H2,1-4H3/p+1