methyl 1-[(3-methylimidazol-3-ium-1-yl)methyl]pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 1-[(3-methylimidazol-3-ium-1-yl)methyl]pyridin-1-ium-3-carboxylate Openeye Name: methyl 1-[(3-methylimidazol-3-ium-1-yl)methyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[(3-methyl-1-imidazol-3-iumyl)methyl]-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-methylimidazol-3-ium-1-yl)methyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[(3-methylimidazol-3-ium-1-yl)methyl]pyridin-1-ium-3-carboxylic acid methyl ester Formula: C12H15N3O2+2 MolecularWeight: 233.2664

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)C[N+]2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

C[N+]1=CN(C=C1)C[N+]2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C12H15N3O2/c1-13-6-7-15(9-13)10-14-5-3-4-11(8-14)12(16)17-2/h3-9H,10H2,1-2H3/q+2