5-bromanyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-quinolin-6-yl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[2-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-quinolin-6-yl]furan-2-carboxamide Openeye Name: 5-bromo-N-[2-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-6-quinolyl]furan-2-carboxamide CAS Name: 5-bromo-N-[2-(4-ethyl-1-piperazin-4-iumyl)-4-methyl-6-quinolinyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[2-(4-ethylpiperazin-4-ium-1-yl)-4-methylquinolin-6-yl]furan-2-carboxamide Traditional Name: 5-bromo-N-[2-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-6-quinolyl]-2-furamide Formula: C21H24BrN4O2+ MolecularWeight: 444.34486

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)C4=CC=C(O4)Br)C(=C2)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)C4=CC=C(O4)Br)C(=C2)C

InChI

InChI=1S/C21H23BrN4O2/c1-3-25-8-10-26(11-9-25)20-12-14(2)16-13-15(4-5-17(16)24-20)23-21(27)18-6-7-19(22)28-18/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,27)/p+1