5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide

Systemtic Name: 5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide Openeye Name: 5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide CAS Name: 5-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-[3-(4-morpholin-4-iumyl)propyl]-2-furancarboxamide IUPAC Name: 5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(3-morpholin-4-ium-4-ylpropyl)furan-2-carboxamide Traditional Name: 5-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-(3-morpholin-4-ium-4-ylpropyl)-2-furamide Formula: C21H26N3O4S+ MolecularWeight: 416.51384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)SCC3=CC=C(O3)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)SCC3=CC=C(O3)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C21H25N3O4S/c1-15-3-5-18-17(13-15)23-21(28-18)29-14-16-4-6-19(27-16)20(25)22-7-2-8-24-9-11-26-12-10-24/h3-6,13H,2,7-12,14H2,1H3,(H,22,25)/p+1