methyl 5-cyano-2-methyl-6-(propylamino)pyridin-1-ium-3-carboxylate

Systemtic Name: methyl 5-cyano-2-methyl-6-(propylamino)pyridin-1-ium-3-carboxylate Openeye Name: methyl 5-cyano-2-methyl-6-(propylamino)pyridin-1-ium-3-carboxylate CAS Name: 5-cyano-2-methyl-6-(propylamino)-3-pyridin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 5-cyano-2-methyl-6-(propylamino)pyridin-1-ium-3-carboxylate Traditional Name: 5-cyano-2-methyl-6-(propylamino)pyridin-1-ium-3-carboxylic acid methyl ester Formula: C12H16N3O2+ MolecularWeight: 234.27434

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=[NH+]C(=C(C=C1C#N)C(=O)OC)C

Isomeric SMILES

CCCNC1=[NH+]C(=C(C=C1C#N)C(=O)OC)C

InChI

InChI=1S/C12H15N3O2/c1-4-5-14-11-9(7-13)6-10(8(2)15-11)12(16)17-3/h6H,4-5H2,1-3H3,(H,14,15)/p+1