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

Systemtic Name: 5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)furan-2-carboxamide Openeye Name: 5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)furan-2-carboxamide CAS Name: 5-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-2-furancarboxamide IUPAC Name: 5-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)furan-2-carboxamide Traditional Name: 5-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)-2-furamide Formula: C20H24N3O3S+ MolecularWeight: 386.48786

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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+]4CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)SCC3=CC=C(O3)C(=O)NCC[NH+]4CCCC4

InChI

InChI=1S/C20H23N3O3S/c1-14-4-6-17-16(12-14)22-20(26-17)27-13-15-5-7-18(25-15)19(24)21-8-11-23-9-2-3-10-23/h4-7,12H,2-3,8-11,13H2,1H3,(H,21,24)/p+1