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

Systemtic Name: 5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ium-4-ylethyl)furan-2-carboxamide Openeye Name: 5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ium-4-ylethyl)furan-2-carboxamide CAS Name: 5-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-2-furancarboxamide IUPAC Name: 5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ium-4-ylethyl)furan-2-carboxamide Traditional Name: 5-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-(2-morpholin-4-ium-4-ylethyl)-2-furamide Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c1-14-2-4-17-16(12-14)22-20(27-17)28-13-15-3-5-18(26-15)19(24)21-6-7-23-8-10-25-11-9-23/h2-5,12H,6-11,13H2,1H3,(H,21,24)/p+1