methyl N-cyano-4-pyridin-1-ium-2-yl-piperazine-1-carboximidothioate

Systemtic Name: methyl N-cyano-4-pyridin-1-ium-2-yl-piperazine-1-carboximidothioate Openeye Name: methyl N-cyano-4-pyridin-1-ium-2-yl-piperazine-1-carboximidothioate CAS Name: N-cyano-4-(2-pyridin-1-iumyl)-1-piperazinecarboximidothioic acid methyl ester IUPAC Name: methyl N-cyano-4-pyridin-1-ium-2-ylpiperazine-1-carboximidothioate Traditional Name: N-cyano-4-pyridin-1-ium-2-yl-piperazine-1-carboximidothioic acid methyl ester Formula: C12H16N5S+ MolecularWeight: 262.35394

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC#N)N1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

CSC(=NC#N)N1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C12H15N5S/c1-18-12(15-10-13)17-8-6-16(7-9-17)11-4-2-3-5-14-11/h2-5H,6-9H2,1H3/p+1