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

Systemtic Name: (E)-3-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]phenyl]prop-2-enoate Openeye Name: (E)-3-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]phenyl]-2-propenoate IUPAC Name: (E)-3-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]phenyl]acrylate Formula: C16H22N2O2 MolecularWeight: 274.35808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O2/c1-17-11-9-15(10-12-17)18(2)14-6-3-13(4-7-14)5-8-16(19)20/h3-8,15H,9-12H2,1-2H3,(H,19,20)/b8-5+