N-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-1-ium-3-yl]methyl]-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-1-ium-3-yl]methyl]-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-1-ium-3-yl]methyl]-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[[6-[(2S,6S)-2,6-dimethyl-4-morpholinyl]-3-pyridin-1-iumyl]methyl]-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-[[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyridin-1-ium-3-yl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-[[6-[(2S,6S)-2,6-dimethylmorpholino]pyridin-1-ium-3-yl]methyl]-2-(4-pyridyl)cinchoninamide Formula: C27H28N5O2+ MolecularWeight: 454.54352

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C2=[NH+]C=C(C=C2)CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

Isomeric SMILES

C[C@H]1CN(C[C@@H](O1)C)C2=[NH+]C=C(C=C2)CNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=NC=C5

InChI

InChI=1S/C27H27N5O2/c1-18-16-32(17-19(2)34-18)26-8-7-20(14-29-26)15-30-27(33)23-13-25(21-9-11-28-12-10-21)31-24-6-4-3-5-22(23)24/h3-14,18-19H,15-17H2,1-2H3,(H,30,33)/p+1/t18-,19-/m0/s1