ethyl 2-[4-(2-chloranylethanoyl)piperazin-1-yl]-5-cyano-6-methyl-pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 2-[4-(2-chloranylethanoyl)piperazin-1-yl]-5-cyano-6-methyl-pyridin-1-ium-3-carboxylate Openeye Name: ethyl 2-[4-(2-chloroacetyl)piperazin-1-yl]-5-cyano-6-methyl-pyridin-1-ium-3-carboxylate CAS Name: 2-[4-(2-chloro-1-oxoethyl)-1-piperazinyl]-5-cyano-6-methyl-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-chloroacetyl)piperazin-1-yl]-5-cyano-6-methylpyridin-1-ium-3-carboxylate Traditional Name: 2-[4-(2-chloroacetyl)piperazino]-5-cyano-6-methyl-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C16H20ClN4O3+ MolecularWeight: 351.808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)C)N2CCN(CC2)C(=O)CCl

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)C)N2CCN(CC2)C(=O)CCl

InChI

InChI=1S/C16H19ClN4O3/c1-3-24-16(23)13-8-12(10-18)11(2)19-15(13)21-6-4-20(5-7-21)14(22)9-17/h8H,3-7,9H2,1-2H3/p+1