N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]-2-pyridin-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]-2-pyridin-2-yl-quinoline-4-carboxamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(2-pyridyl)quinoline-4-carboxamide CAS Name: N-[[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino]-2-(2-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-pyridin-2-ylquinoline-4-carboxamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(2-pyridyl)cinchoninamide Formula: C27H26N5O+ MolecularWeight: 436.52824

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=N4)CC5=CC=CC=C5

InChI

InChI=1S/C27H25N5O/c33-27(31-30-21-13-16-32(17-14-21)19-20-8-2-1-3-9-20)23-18-26(25-12-6-7-15-28-25)29-24-11-5-4-10-22(23)24/h1-12,15,18H,13-14,16-17,19H2,(H,31,33)/p+1