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

Systemtic Name: methyl N-cyano-4-(diphenylmethyl)piperazin-4-ium-1-carboximidothioate Openeye Name: methyl 4-benzhydryl-N-cyano-piperazin-4-ium-1-carboximidothioate CAS Name: N-cyano-4-(diphenylmethyl)-1-piperazin-4-iumcarboximidothioic acid methyl ester IUPAC Name: methyl 4-benzhydryl-N-cyanopiperazin-4-ium-1-carboximidothioate Traditional Name: 4-benzhydryl-N-cyano-piperazin-4-ium-1-carboximidothioic acid methyl ester Formula: C20H23N4S+ MolecularWeight: 351.48842

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC#N)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CSC(=NC#N)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4S/c1-25-20(22-16-21)24-14-12-23(13-15-24)19(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3/p+1