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

Systemtic Name: N-[2-(dimethylamino)quinolin-4-yl]-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(dimethylamino)-4-quinolyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(dimethylamino)-4-quinolinyl]-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-(dimethylamino)quinolin-4-yl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[2-(dimethylamino)-4-quinolyl]-2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetamide Formula: C22H26N5O3+ MolecularWeight: 408.47354

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC2=CC=CC=C2C(=C1)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CN(C)C1=NC2=CC=CC=C2C(=C1)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C22H25N5O3/c1-25(2)20-14-18(16-6-3-4-7-17(16)23-20)24-21(28)15-26-9-11-27(12-10-26)22(29)19-8-5-13-30-19/h3-8,13-14H,9-12,15H2,1-2H3,(H,23,24,28)/p+1