6-(dimethylamino)-4-(4-ethylpiperazin-4-ium-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 6-(dimethylamino)-4-(4-ethylpiperazin-4-ium-1-yl)quinoline-3-carboxylic acid Openeye Name: 6-(dimethylamino)-4-(4-ethylpiperazin-4-ium-1-yl)quinoline-3-carboxylic acid CAS Name: 6-(dimethylamino)-4-(4-ethyl-1-piperazin-4-iumyl)-3-quinolinecarboxylic acid IUPAC Name: 6-(dimethylamino)-4-(4-ethylpiperazin-4-ium-1-yl)quinoline-3-carboxylic acid Traditional Name: 6-(dimethylamino)-4-(4-ethylpiperazin-4-ium-1-yl)quinoline-3-carboxylic acid Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C3C=C(C=CC3=NC=C2C(=O)O)N(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C3C=C(C=CC3=NC=C2C(=O)O)N(C)C

InChI

InChI=1S/C18H24N4O2/c1-4-21-7-9-22(10-8-21)17-14-11-13(20(2)3)5-6-16(14)19-12-15(17)18(23)24/h5-6,11-12H,4,7-10H2,1-3H3,(H,23,24)/p+1