ethyl 4-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-ethoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-(4-carbethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H28N3O5+ MolecularWeight: 366.43202

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C[NH+]2CCN(CC2)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C[NH+]2CCN(CC2)C(=O)OCC)C

InChI

InChI=1S/C18H27N3O5/c1-5-25-17(23)15-12(3)16(19-13(15)4)14(22)11-20-7-9-21(10-8-20)18(24)26-6-2/h19H,5-11H2,1-4H3/p+1