2-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxylic acid

Systemtic Name: 2-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxylic acid Openeye Name: 2-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxylic acid CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxylic acid Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)cinchoninic acid Formula: C15H18N3O2+ MolecularWeight: 272.32232

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C15H17N3O2/c1-17-6-8-18(9-7-17)14-10-12(15(19)20)11-4-2-3-5-13(11)16-14/h2-5,10H,6-9H2,1H3,(H,19,20)/p+1