2-[(5-cyanopyridin-1-ium-2-yl)-methyl-amino]ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate

Systemtic Name: 2-[(5-cyanopyridin-1-ium-2-yl)-methyl-amino]ethyl 4-methyl-1,2,3-thiadiazole-5-carboxylate Openeye Name: 2-[(5-cyanopyridin-1-ium-2-yl)-methyl-amino]ethyl 4-methylthiadiazole-5-carboxylate CAS Name: 4-methyl-5-thiadiazolecarboxylic acid 2-[(5-cyano-2-pyridin-1-iumyl)-methylamino]ethyl ester IUPAC Name: 2-[(5-cyanopyridin-1-ium-2-yl)-methylamino]ethyl 4-methylthiadiazole-5-carboxylate Traditional Name: 4-methylthiadiazole-5-carboxylic acid 2-[(5-cyanopyridin-1-ium-2-yl)-methyl-amino]ethyl ester Formula: C13H14N5O2S+ MolecularWeight: 304.34756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)OCCN(C)C2=[NH+]C=C(C=C2)C#N

Isomeric SMILES

CC1=C(SN=N1)C(=O)OCCN(C)C2=[NH+]C=C(C=C2)C#N

InChI

InChI=1S/C13H13N5O2S/c1-9-12(21-17-16-9)13(19)20-6-5-18(2)11-4-3-10(7-14)8-15-11/h3-4,8H,5-6H2,1-2H3/p+1