(E)-2-methyl-4-[2-(trimethylazaniumyl)phenyl]hept-2-enoate

Systemtic Name: (E)-2-methyl-4-[2-(trimethylazaniumyl)phenyl]hept-2-enoate Openeye Name: (E)-2-methyl-4-[2-(trimethylammonio)phenyl]hept-2-enoate CAS Name: (E)-2-methyl-4-[2-(trimethylammonio)phenyl]-2-heptenoate IUPAC Name: (E)-2-methyl-4-[2-(trimethylazaniumyl)phenyl]hept-2-enoate Traditional Name: (E)-2-methyl-4-[2-(trimethylammonio)phenyl]hept-2-enoate Formula: C17H25NO2 MolecularWeight: 275.3859

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C=C(C)C(=O)[O-])C1=CC=CC=C1[N+](C)(C)C

Isomeric SMILES

CCCC(/C=C(\C)/C(=O)[O-])C1=CC=CC=C1[N+](C)(C)C

InChI

InChI=1S/C17H25NO2/c1-6-9-14(12-13(2)17(19)20)15-10-7-8-11-16(15)18(3,4)5/h7-8,10-12,14H,6,9H2,1-5H3/b13-12+