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

Systemtic Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-quinolin-6-yl]-5-nitro-furan-2-carboxamide Openeye Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-6-quinolyl]-5-nitro-furan-2-carboxamide CAS Name: N-[2-(4-ethyl-1-piperazin-4-iumyl)-4-methyl-6-quinolinyl]-5-nitro-2-furancarboxamide IUPAC Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-4-methylquinolin-6-yl]-5-nitrofuran-2-carboxamide Traditional Name: N-[2-(4-ethylpiperazin-4-ium-1-yl)-4-methyl-6-quinolyl]-5-nitro-2-furamide Formula: C21H24N5O4+ MolecularWeight: 410.44636

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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)[N+](=O)[O-])C(=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4/c1-3-24-8-10-25(11-9-24)19-12-14(2)16-13-15(4-5-17(16)23-19)22-21(27)18-6-7-20(30-18)26(28)29/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,27)/p+1