ethyl 5-cyano-2-(1,4-diazepan-4-ium-1-yl)-6-methyl-pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-(1,4-diazepan-4-ium-1-yl)-6-methyl-pyridin-1-ium-3-carboxylate Openeye Name: ethyl 5-cyano-2-(1,4-diazepan-4-ium-1-yl)-6-methyl-pyridin-1-ium-3-carboxylate CAS Name: 5-cyano-2-(1,4-diazepan-4-ium-1-yl)-6-methyl-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-(1,4-diazepan-4-ium-1-yl)-6-methylpyridin-1-ium-3-carboxylate Traditional Name: 5-cyano-2-(1,4-diazepan-4-ium-1-yl)-6-methyl-pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C15H22N4O2+2 MolecularWeight: 290.36078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)C)N2CCC[NH2+]CC2

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)C)N2CCC[NH2+]CC2

InChI

InChI=1S/C15H20N4O2/c1-3-21-15(20)13-9-12(10-16)11(2)18-14(13)19-7-4-5-17-6-8-19/h9,17H,3-8H2,1-2H3/p+2