ethyl 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: ethyl 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C24H27FN3O2+ MolecularWeight: 408.488483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C24H26FN3O2/c1-3-30-24(29)23-17(2)20-6-4-5-7-21(20)26-22(23)16-27-12-14-28(15-13-27)19-10-8-18(25)9-11-19/h4-11H,3,12-16H2,1-2H3/p+1