methyl N-cyano-4-(phenylmethyl)piperazin-4-ium-1-carboximidothioate

Systemtic Name: methyl N-cyano-4-(phenylmethyl)piperazin-4-ium-1-carboximidothioate Openeye Name: methyl 4-benzyl-N-cyano-piperazin-4-ium-1-carboximidothioate CAS Name: N-cyano-4-(phenylmethyl)-1-piperazin-4-iumcarboximidothioic acid methyl ester IUPAC Name: methyl 4-benzyl-N-cyanopiperazin-4-ium-1-carboximidothioate Traditional Name: 4-benzyl-N-cyano-piperazin-4-ium-1-carboximidothioic acid methyl ester Formula: C14H19N4S+ MolecularWeight: 275.39246

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC#N)N1CC[NH+](CC1)CC2=CC=CC=C2

Isomeric SMILES

CSC(=NC#N)N1CC[NH+](CC1)CC2=CC=CC=C2

InChI

InChI=1S/C14H18N4S/c1-19-14(16-12-15)18-9-7-17(8-10-18)11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3/p+1