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

Systemtic Name: 6-chloranyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-6-chloro-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 6-chloro-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-6-chloro-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-6-chloro-2-(3-pyridyl)cinchoninamide Formula: C27H26ClN4O+ MolecularWeight: 457.97454

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H25ClN4O/c28-21-8-9-25-23(15-21)24(16-26(31-25)20-7-4-12-29-17-20)27(33)30-22-10-13-32(14-11-22)18-19-5-2-1-3-6-19/h1-9,12,15-17,22H,10-11,13-14,18H2,(H,30,33)/p+1