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

Systemtic Name: methyl 5-[(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(2S)-2-(4-acetylpiperazin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-(4-acetyl-1-piperazin-1-iumyl)-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2S)-2-(4-acetylpiperazin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(4-acetylpiperazin-1-ium-1-yl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H26N3O4+ MolecularWeight: 336.40604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O4/c1-10-14(17(23)24-5)11(2)18-15(10)16(22)12(3)19-6-8-20(9-7-19)13(4)21/h12,18H,6-9H2,1-5H3/p+1/t12-/m0/s1