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

Systemtic Name: (E)-3-[3-fluoranyl-4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]phenyl]prop-2-enoate Openeye Name: (E)-3-[3-fluoro-4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]phenyl]prop-2-enoate CAS Name: (E)-3-[3-fluoro-4-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]phenyl]-2-propenoate IUPAC Name: (E)-3-[3-fluoro-4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[3-fluoro-4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]phenyl]acrylate Formula: C16H21FN2O2 MolecularWeight: 292.348543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21FN2O2/c1-18-9-7-13(8-10-18)19(2)15-5-3-12(11-14(15)17)4-6-16(20)21/h3-6,11,13H,7-10H2,1-2H3,(H,20,21)/b6-4+