N-[2-methyl-5-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylcarbamoyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[2-methyl-5-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylcarbamoyl]phenyl]furan-2-carboxamide Openeye Name: N-[2-methyl-5-[(6-morpholinopyridin-1-ium-3-yl)methylcarbamoyl]phenyl]furan-2-carboxamide CAS Name: N-[2-methyl-5-[[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-oxomethyl]phenyl]-2-furancarboxamide IUPAC Name: N-[2-methyl-5-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylcarbamoyl]phenyl]furan-2-carboxamide Traditional Name: N-[2-methyl-5-[(6-morpholinopyridin-1-ium-3-yl)methylcarbamoyl]phenyl]-2-furamide Formula: C23H25N4O4+ MolecularWeight: 421.469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C23H24N4O4/c1-16-4-6-18(13-19(16)26-23(29)20-3-2-10-31-20)22(28)25-15-17-5-7-21(24-14-17)27-8-11-30-12-9-27/h2-7,10,13-14H,8-9,11-12,15H2,1H3,(H,25,28)(H,26,29)/p+1