methyl 5-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H24ClFN3O3+ MolecularWeight: 408.874263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)N2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H23ClFN3O3/c1-12-17(20(27)28-3)13(2)23-18(12)19(26)25-9-7-24(8-10-25)11-14-15(21)5-4-6-16(14)22/h4-6,23H,7-11H2,1-3H3/p+1