ethyl 5-[[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)anilino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H30ClN4O3+ MolecularWeight: 433.9516

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=C(C(=C(N3)C)C(=O)OCC)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=C(C(=C(N3)C)C(=O)OCC)C

InChI

InChI=1S/C22H29ClN4O3/c1-5-26-9-11-27(12-10-26)18-8-7-16(23)13-17(18)25-21(28)20-14(3)19(15(4)24-20)22(29)30-6-2/h7-8,13,24H,5-6,9-12H2,1-4H3,(H,25,28)/p+1