(E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)prop-2-enamide

Systemtic Name: (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)prop-2-enamide Openeye Name: (E)-3-[4-(2-furylmethylsulfamoyl)phenyl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)prop-2-enamide CAS Name: (E)-3-[4-(2-furanylmethylsulfamoyl)phenyl]-N-methyl-N-(1-methyl-4-piperidin-1-iumyl)-2-propenamide IUPAC Name: (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)prop-2-enamide Traditional Name: (E)-3-[4-(2-furfurylsulfamoyl)phenyl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)acrylamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)C(=O)C=CC2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

Isomeric SMILES

C[NH+]1CCC(CC1)N(C)C(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H27N3O4S/c1-23-13-11-18(12-14-23)24(2)21(25)10-7-17-5-8-20(9-6-17)29(26,27)22-16-19-4-3-15-28-19/h3-10,15,18,22H,11-14,16H2,1-2H3/p+1/b10-7+