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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C[NH+]2CCN(CC2)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)C[NH+]2CCN(CC2)C(=O)C)C

InChI

InChI=1S/C17H25N3O4/c1-5-24-17(23)16-11(2)15(12(3)18-16)14(22)10-19-6-8-20(9-7-19)13(4)21/h18H,5-10H2,1-4H3/p+1