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

Systemtic Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-2-(3-pyridyl)cinchoninamide Formula: C25H25N6O+ MolecularWeight: 425.5056

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C25H24N6O/c1-30-11-13-31(14-12-30)24-9-8-19(17-27-24)28-25(32)21-15-23(18-5-4-10-26-16-18)29-22-7-3-2-6-20(21)22/h2-10,15-17H,11-14H2,1H3,(H,28,32)/p+1