N-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propyl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propyl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]propyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propyl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propyl]-2-(4-pyridyl)cinchoninamide Formula: C28H29ClN5O+ MolecularWeight: 487.01576

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=NC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C28H28ClN5O/c29-22-5-3-6-23(19-22)34-17-15-33(16-18-34)14-4-11-31-28(35)25-20-27(21-9-12-30-13-10-21)32-26-8-2-1-7-24(25)26/h1-3,5-10,12-13,19-20H,4,11,14-18H2,(H,31,35)/p+1