(E)-3-[3,4-dimethoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[3,4-dimethoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]prop-2-enoate Openeye Name: (E)-3-[3,4-dimethoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]prop-2-enoate CAS Name: (E)-3-[3,4-dimethoxy-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-propenoate IUPAC Name: (E)-3-[3,4-dimethoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enoate Traditional Name: (E)-3-[3,4-dimethoxy-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-phenyl]acrylate Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2OC)OC)C=CC(=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2OC)OC)/C=C/C(=O)[O-]

InChI

InChI=1S/C16H22N2O6S/c1-17-6-8-18(9-7-17)25(21,22)14-11-12(4-5-15(19)20)10-13(23-2)16(14)24-3/h4-5,10-11H,6-9H2,1-3H3,(H,19,20)/b5-4+