N-(2-butyl-3-propyl-quinolin-4-yl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-butyl-3-propyl-quinolin-4-yl)-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-butyl-3-propyl-4-quinolyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-butyl-3-propyl-4-quinolinyl)-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-butyl-3-propylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-butyl-3-propyl-4-quinolyl)-2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetamide Formula: C27H35N4O3+ MolecularWeight: 463.5918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2C(=C1CCC)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C(=C1CCC)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C27H34N4O3/c1-3-5-11-22-20(9-4-2)26(21-10-6-7-12-23(21)28-22)29-25(32)19-30-14-16-31(17-15-30)27(33)24-13-8-18-34-24/h6-8,10,12-13,18H,3-5,9,11,14-17,19H2,1-2H3,(H,28,29,32)/p+1