ethyl 5-(4-ethylpiperazin-4-ium-1-yl)carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-(4-ethylpiperazin-4-ium-1-yl)carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-(4-ethylpiperazin-4-ium-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-ethylpiperazin-4-ium-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(4-ethylpiperazin-4-ium-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H26N3O3+ MolecularWeight: 308.39594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3/c1-5-18-7-9-19(10-8-18)15(20)14-11(3)13(12(4)17-14)16(21)22-6-2/h17H,5-10H2,1-4H3/p+1