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

Systemtic Name: 5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-piperidin-1-ium-1-ylethyl)furan-2-carboxamide Openeye Name: 5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-piperidin-1-ium-1-ylethyl)furan-2-carboxamide CAS Name: 5-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-[2-(1-piperidin-1-iumyl)ethyl]-2-furancarboxamide IUPAC Name: 5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-piperidin-1-ium-1-ylethyl)furan-2-carboxamide Traditional Name: 5-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-(2-piperidin-1-ium-1-ylethyl)-2-furamide Formula: C21H26N3O3S+ MolecularWeight: 400.51444

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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+]4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)SCC3=CC=C(O3)C(=O)NCC[NH+]4CCCCC4

InChI

InChI=1S/C21H25N3O3S/c1-15-5-7-18-17(13-15)23-21(27-18)28-14-16-6-8-19(26-16)20(25)22-9-12-24-10-3-2-4-11-24/h5-8,13H,2-4,9-12,14H2,1H3,(H,22,25)/p+1