(E)-3-[3-bromanyl-4-[2-(diethylazaniumyl)ethoxy]-5-methoxy-phenyl]prop-2-enoate

Systemtic Name: (E)-3-[3-bromanyl-4-[2-(diethylazaniumyl)ethoxy]-5-methoxy-phenyl]prop-2-enoate Openeye Name: (E)-3-[3-bromo-4-[2-(diethylammonio)ethoxy]-5-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[3-bromo-4-[2-(diethylammonio)ethoxy]-5-methoxyphenyl]-2-propenoate IUPAC Name: (E)-3-[3-bromo-4-[2-(diethylazaniumyl)ethoxy]-5-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[3-bromo-4-[2-(diethylammonio)ethoxy]-5-methoxy-phenyl]acrylate Formula: C16H22BrNO4 MolecularWeight: 372.25418

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=C(C=C(C=C1Br)C=CC(=O)[O-])OC

Isomeric SMILES

CC[NH+](CC)CCOC1=C(C=C(C=C1Br)/C=C/C(=O)[O-])OC

InChI

InChI=1S/C16H22BrNO4/c1-4-18(5-2)8-9-22-16-13(17)10-12(6-7-15(19)20)11-14(16)21-3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,20)/b7-6+