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

Systemtic Name: (E)-3-[3-bromanyl-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Openeye Name: (E)-3-[3-bromo-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate CAS Name: (E)-3-[3-bromo-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-propenoate IUPAC Name: (E)-3-[3-bromo-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-bromo-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]acrylate Formula: C16H20BrNO3 MolecularWeight: 354.2389

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2)C=CC(=O)[O-])Br

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2)/C=C/C(=O)[O-])Br

InChI

InChI=1S/C16H20BrNO3/c17-14-12-13(5-7-16(19)20)4-6-15(14)21-11-10-18-8-2-1-3-9-18/h4-7,12H,1-3,8-11H2,(H,19,20)/b7-5+