methyl 1-but-3-enyl-4-methoxy-pyridin-1-ium-2-carboxylate

Systemtic Name: methyl 1-but-3-enyl-4-methoxy-pyridin-1-ium-2-carboxylate Openeye Name: methyl 1-but-3-enyl-4-methoxy-pyridin-1-ium-2-carboxylate CAS Name: 1-but-3-enyl-4-methoxy-2-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-but-3-enyl-4-methoxypyridin-1-ium-2-carboxylate Traditional Name: 1-but-3-enyl-4-methoxy-pyridin-1-ium-2-carboxylic acid methyl ester Formula: C12H16NO3+ MolecularWeight: 222.26034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=[N+](C=C1)CCC=C)C(=O)OC

Isomeric SMILES

COC1=CC(=[N+](C=C1)CCC=C)C(=O)OC

InChI

InChI=1S/C12H16NO3/c1-4-5-7-13-8-6-10(15-2)9-11(13)12(14)16-3/h4,6,8-9H,1,5,7H2,2-3H3/q+1