2-methyl-4-[[4-(4-methylpiperazin-1-ium-1-yl)phenyl]amino]quinoline-6-carboxylic acid

Systemtic Name: 2-methyl-4-[[4-(4-methylpiperazin-1-ium-1-yl)phenyl]amino]quinoline-6-carboxylic acid Openeye Name: 2-methyl-4-[4-(4-methylpiperazin-1-ium-1-yl)anilino]quinoline-6-carboxylic acid CAS Name: 2-methyl-4-[4-(4-methyl-1-piperazin-1-iumyl)anilino]-6-quinolinecarboxylic acid IUPAC Name: 2-methyl-4-[4-(4-methylpiperazin-1-ium-1-yl)anilino]quinoline-6-carboxylic acid Traditional Name: 2-methyl-4-[4-(4-methylpiperazin-1-ium-1-yl)anilino]quinoline-6-carboxylic acid Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)O)C(=C1)NC3=CC=C(C=C3)[NH+]4CCN(CC4)C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)O)C(=C1)NC3=CC=C(C=C3)[NH+]4CCN(CC4)C

InChI

InChI=1S/C22H24N4O2/c1-15-13-21(19-14-16(22(27)28)3-8-20(19)23-15)24-17-4-6-18(7-5-17)26-11-9-25(2)10-12-26/h3-8,13-14H,9-12H2,1-2H3,(H,23,24)(H,27,28)/p+1