6-(dimethylamino)-4-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]quinoline-3-carboxylate

Systemtic Name: 6-(dimethylamino)-4-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]quinoline-3-carboxylate Openeye Name: 6-(dimethylamino)-4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]quinoline-3-carboxylate CAS Name: 6-(dimethylamino)-4-[4-(4-methyl-1-piperazin-4-iumyl)anilino]-3-quinolinecarboxylate IUPAC Name: 6-(dimethylamino)-4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]quinoline-3-carboxylate Traditional Name: 6-(dimethylamino)-4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]quinoline-3-carboxylate Formula: C23H27N5O2 MolecularWeight: 405.49278

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC=C3C(=O)[O-])N(C)C

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC=C3C(=O)[O-])N(C)C

InChI

InChI=1S/C23H27N5O2/c1-26(2)18-8-9-21-19(14-18)22(20(15-24-21)23(29)30)25-16-4-6-17(7-5-16)28-12-10-27(3)11-13-28/h4-9,14-15H,10-13H2,1-3H3,(H,24,25)(H,29,30)