(E)-3-[4-methoxy-3-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-methoxy-3-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]prop-2-enoate Openeye Name: (E)-3-[4-methoxy-3-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-[methyl-(1-methyl-4-piperidin-1-iumyl)sulfamoyl]phenyl]-2-propenoate IUPAC Name: (E)-3-[4-methoxy-3-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-methoxy-3-[methyl-(1-methylpiperidin-1-ium-4-yl)sulfamoyl]phenyl]acrylate Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(C)S(=O)(=O)C2=C(C=CC(=C2)C=CC(=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O5S/c1-18-10-8-14(9-11-18)19(2)25(22,23)16-12-13(5-7-17(20)21)4-6-15(16)24-3/h4-7,12,14H,8-11H2,1-3H3,(H,20,21)/b7-5+