ethyl 4-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H27FN3O3+ MolecularWeight: 388.455783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F)C)C

InChI

InChI=1S/C21H26FN3O3/c1-4-28-21(27)20-15(3)23-14(2)19(20)18(26)13-24-9-11-25(12-10-24)17-7-5-16(22)6-8-17/h5-8,23H,4,9-13H2,1-3H3/p+1