tert-butyl 4-(3-cyano-6-thiophen-2-yl-pyridin-1-ium-2-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-cyano-6-thiophen-2-yl-pyridin-1-ium-2-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-cyano-6-(2-thienyl)pyridin-1-ium-2-yl]piperazine-1-carboxylate CAS Name: 4-(3-cyano-6-thiophen-2-yl-2-pyridin-1-iumyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-cyano-6-thiophen-2-ylpyridin-1-ium-2-yl)piperazine-1-carboxylate Traditional Name: 4-[3-cyano-6-(2-thienyl)pyridin-1-ium-2-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H23N4O2S+ MolecularWeight: 371.47652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC(=[NH+]2)C3=CC=CS3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=CC(=[NH+]2)C3=CC=CS3)C#N

InChI

InChI=1S/C19H22N4O2S/c1-19(2,3)25-18(24)23-10-8-22(9-11-23)17-14(13-20)6-7-15(21-17)16-5-4-12-26-16/h4-7,12H,8-11H2,1-3H3/p+1