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

Systemtic Name: N-[3-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[3-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[3-[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]propyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[3-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[3-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]-2-(3-pyridyl)cinchoninamide Formula: C28H37N5O+2 MolecularWeight: 459.62628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CC[NH+](CC2)CCCNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CC[NH+](CC1)C2CC[NH+](CC2)CCCNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C28H35N5O/c34-28(30-14-7-15-32-18-11-23(12-19-32)33-16-4-1-5-17-33)25-20-27(22-8-6-13-29-21-22)31-26-10-3-2-9-24(25)26/h2-3,6,8-10,13,20-21,23H,1,4-5,7,11-12,14-19H2,(H,30,34)/p+2