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

Systemtic Name: 6-chloranyl-4-[[4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]quinoline-3-carboxylate Openeye Name: 6-chloro-4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]quinoline-3-carboxylate CAS Name: 6-chloro-4-[4-(4-methyl-1-piperazin-4-iumyl)anilino]-3-quinolinecarboxylate IUPAC Name: 6-chloro-4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]quinoline-3-carboxylate Traditional Name: 6-chloro-4-[4-(4-methylpiperazin-4-ium-1-yl)anilino]quinoline-3-carboxylate Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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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-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O2/c1-25-8-10-26(11-9-25)16-5-3-15(4-6-16)24-20-17-12-14(22)2-7-19(17)23-13-18(20)21(27)28/h2-7,12-13H,8-11H2,1H3,(H,23,24)(H,27,28)