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

Systemtic Name: 8-methyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-8-methyl-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: 8-methyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-8-methyl-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-8-methyl-2-(3-pyridyl)cinchoninamide Formula: C28H29N4O+ MolecularWeight: 437.55606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C5=CN=CC=C5

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4)C5=CN=CC=C5

InChI

InChI=1S/C28H28N4O/c1-20-7-5-11-24-25(17-26(31-27(20)24)22-10-6-14-29-18-22)28(33)30-23-12-15-32(16-13-23)19-21-8-3-2-4-9-21/h2-11,14,17-18,23H,12-13,15-16,19H2,1H3,(H,30,33)/p+1