N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(3-pyridyl)cinchoninamide Formula: C27H28N5O+ MolecularWeight: 438.54412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27N5O/c1-2-31-14-16-32(17-15-31)22-11-9-21(10-12-22)29-27(33)24-18-26(20-6-5-13-28-19-20)30-25-8-4-3-7-23(24)25/h3-13,18-19H,2,14-17H2,1H3,(H,29,33)/p+1