(E)-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enoate Openeye Name: (E)-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enoate CAS Name: (E)-3-[4-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]phenyl]-2-propenoate IUPAC Name: (E)-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(4-methylpiperazin-4-ium-1-yl)sulfonylphenyl]acrylate Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-15-8-10-16(11-9-15)21(19,20)13-5-2-12(3-6-13)4-7-14(17)18/h2-7H,8-11H2,1H3,(H,17,18)/b7-4+