(E)-3-[2-chloranyl-6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]phenyl]prop-2-enoate

Systemtic Name: (E)-3-[2-chloranyl-6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]phenyl]prop-2-enoate Openeye Name: (E)-3-[2-chloro-6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]phenyl]prop-2-enoate CAS Name: (E)-3-[2-chloro-6-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]phenyl]-2-propenoate IUPAC Name: (E)-3-[2-chloro-6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]phenyl]prop-2-enoate Traditional Name: (E)-3-[2-chloro-6-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]phenyl]acrylate Formula: C16H21ClN2O2 MolecularWeight: 308.80314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN2O2/c1-18-10-8-12(9-11-18)19(2)15-5-3-4-14(17)13(15)6-7-16(20)21/h3-7,12H,8-11H2,1-2H3,(H,20,21)/b7-6+