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

Systemtic Name: ethyl 2-[[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]methyl]-4-methyl-quinoline-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H26N3O4+ MolecularWeight: 408.47024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1C[NH+]3CCN(CC3)C(=O)C4=CC=CO4)C

InChI

InChI=1S/C23H25N3O4/c1-3-29-23(28)21-16(2)17-7-4-5-8-18(17)24-19(21)15-25-10-12-26(13-11-25)22(27)20-9-6-14-30-20/h4-9,14H,3,10-13,15H2,1-2H3/p+1