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

Systemtic Name: (E)-3-[5-bromanyl-3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Openeye Name: (E)-3-[5-bromo-3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[5-bromo-3-methoxy-2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-propenoate IUPAC Name: (E)-3-[5-bromo-3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[5-bromo-3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]acrylate Formula: C17H22BrNO4 MolecularWeight: 384.26488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22BrNO4/c1-22-15-12-14(18)11-13(5-6-16(20)21)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+