methyl 2-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: methyl 2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate CAS Name: 2-[[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]methyl]-4-methyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]methyl]-4-methylquinoline-3-carboxylate Traditional Name: 2-[[4-(2-furoyl)piperazin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C22H24N3O4+ MolecularWeight: 394.44366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)C(=O)OC

InChI

InChI=1S/C22H23N3O4/c1-15-16-6-3-4-7-17(16)23-18(20(15)22(27)28-2)14-24-9-11-25(12-10-24)21(26)19-8-5-13-29-19/h3-8,13H,9-12,14H2,1-2H3/p+1