N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-pyridin-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-pyridin-3-yl-quinoline-4-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(3-pyridyl)quinoline-4-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-2-(3-pyridinyl)-4-quinolinecarboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-2-pyridin-3-ylquinoline-4-carboxamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-2-(3-pyridyl)cinchoninamide Formula: C28H29N4O3+ MolecularWeight: 469.55486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4)[NH+]5CCOCC5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CN=CC=C4)[NH+]5CCOCC5

InChI

InChI=1S/C28H28N4O3/c1-34-22-10-8-20(9-11-22)27(32-13-15-35-16-14-32)19-30-28(33)24-17-26(21-5-4-12-29-18-21)31-25-7-3-2-6-23(24)25/h2-12,17-18,27H,13-16,19H2,1H3,(H,30,33)/p+1/t27-/m0/s1