(E)-3-[3-chloranyl-5-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate

Systemtic Name: (E)-3-[3-chloranyl-5-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Openeye Name: (E)-3-[3-chloro-5-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[3-chloro-5-methoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-propenoate IUPAC Name: (E)-3-[3-chloro-5-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-chloro-5-methoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]acrylate Formula: C17H22ClNO4 MolecularWeight: 339.81388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)[O-])Cl)OCC[NH+]2CCCCC2

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)[O-])Cl)OCC[NH+]2CCCCC2

InChI

InChI=1S/C17H22ClNO4/c1-22-15-12-13(5-6-16(20)21)11-14(18)17(15)23-10-9-19-7-3-2-4-8-19/h5-6,11-12H,2-4,7-10H2,1H3,(H,20,21)/b6-5+