6-chloranyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: 6-chloranyl-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: 6-chloro-N-(4-methylpiperazin-4-ium-1-yl)-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-chloro-N-(4-methyl-1-piperazin-4-iumyl)-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: 6-chloro-N-(4-methylpiperazin-4-ium-1-yl)-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: 6-chloro-N-(4-methylpiperazin-4-ium-1-yl)-2-(3-pyridyl)cinchoninamide Formula: C20H21ClN5O+ MolecularWeight: 382.86664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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