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

Systemtic Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-2-(3-pyridyl)cinchoninamide Formula: C26H27N6O+ MolecularWeight: 439.53218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N6O/c1-31-11-13-32(14-12-31)25-9-8-19(16-28-25)17-29-26(33)22-15-24(20-5-4-10-27-18-20)30-23-7-3-2-6-21(22)23/h2-10,15-16,18H,11-14,17H2,1H3,(H,29,33)/p+1