6-chloranyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: 6-chloranyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: 6-chloro-N-(4-methylpiperazin-4-ium-1-yl)-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: 6-chloro-N-(4-methyl-1-piperazin-4-iumyl)-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-chloro-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: 6-chloro-N-(4-methylpiperazin-4-ium-1-yl)-2-(2-pyridyl)cinchoninamide Formula: C20H21ClN5O+ MolecularWeight: 382.86664

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=N4

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=N4

InChI

InChI=1S/C20H20ClN5O/c1-25-8-10-26(11-9-25)24-20(27)16-13-19(18-4-2-3-7-22-18)23-17-6-5-14(21)12-15(16)17/h2-7,12-13H,8-11H2,1H3,(H,24,27)/p+1