2-(4-methoxyphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]quinoline-4-carboxamide

Systemtic Name: 2-(4-methoxyphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]quinoline-4-carboxamide Openeye Name: 2-(4-methoxyphenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]quinoline-4-carboxamide CAS Name: 2-(4-methoxyphenyl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-methoxyphenyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]quinoline-4-carboxamide Traditional Name: 2-(4-methoxyphenyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]cinchoninamide Formula: C27H27N4O3+ MolecularWeight: 455.52828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=C[NH+]=C(C=C4)N5CCOCC5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=C[NH+]=C(C=C4)N5CCOCC5

InChI

InChI=1S/C27H26N4O3/c1-33-21-9-7-20(8-10-21)25-16-23(22-4-2-3-5-24(22)30-25)27(32)29-18-19-6-11-26(28-17-19)31-12-14-34-15-13-31/h2-11,16-17H,12-15,18H2,1H3,(H,29,32)/p+1