N-(6-methoxyquinolin-8-yl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide

Systemtic Name: N-(6-methoxyquinolin-8-yl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide Openeye Name: N-(6-methoxy-8-quinolyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide CAS Name: N-(6-methoxy-8-quinolinyl)-2-(4-methyl-1-piperazin-4-iumyl)-5-nitrobenzamide IUPAC Name: N-(6-methoxyquinolin-8-yl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitrobenzamide Traditional Name: N-(6-methoxy-8-quinolyl)-2-(4-methylpiperazin-4-ium-1-yl)-5-nitro-benzamide Formula: C22H24N5O4+ MolecularWeight: 422.45706

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=C4C(=CC(=C3)OC)C=CC=N4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=C4C(=CC(=C3)OC)C=CC=N4

InChI

InChI=1S/C22H23N5O4/c1-25-8-10-26(11-9-25)20-6-5-16(27(29)30)13-18(20)22(28)24-19-14-17(31-2)12-15-4-3-7-23-21(15)19/h3-7,12-14H,8-11H2,1-2H3,(H,24,28)/p+1