ethyl 5-[4-[2-(ethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[4-[2-(ethylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[4-[2-(ethylamino)-2-oxo-ethyl]piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-[2-(ethylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[2-(ethylamino)-2-oxoethyl]piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-[2-(ethylamino)-2-keto-ethyl]piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H29N4O4+ MolecularWeight: 365.44726

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

Isomeric SMILES

CCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

InChI

InChI=1S/C18H28N4O4/c1-5-19-14(23)11-21-7-9-22(10-8-21)17(24)16-12(3)15(13(4)20-16)18(25)26-6-2/h20H,5-11H2,1-4H3,(H,19,23)/p+1