methyl (Z)-3-(3-methylimidazol-3-ium-1-yl)but-2-enoate

Systemtic Name: methyl (Z)-3-(3-methylimidazol-3-ium-1-yl)but-2-enoate Openeye Name: methyl (Z)-3-(3-methylimidazol-3-ium-1-yl)but-2-enoate CAS Name: (Z)-3-(3-methyl-1-imidazol-3-iumyl)-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-3-(3-methylimidazol-3-ium-1-yl)but-2-enoate Traditional Name: (Z)-3-(3-methylimidazol-3-ium-1-yl)but-2-enoic acid methyl ester Formula: C9H13N2O2+ MolecularWeight: 181.21172

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OC)N1C=C[N+](=C1)C

Isomeric SMILES

C/C(=C/C(=O)OC)/N1C=C[N+](=C1)C

InChI

InChI=1S/C9H13N2O2/c1-8(6-9(12)13-3)11-5-4-10(2)7-11/h4-7H,1-3H3/q+1/b8-6-