4-[(2-methylsulfanylphenyl)methyl]piperazine-1-carboximidamide sulfate

Systemtic Name: 4-[(2-methylsulfanylphenyl)methyl]piperazine-1-carboximidamide sulfate Openeye Name: 4-[(2-methylsulfanylphenyl)methyl]piperazine-1-carboxamidine sulfate CAS Name: 4-[[2-(methylthio)phenyl]methyl]-1-piperazinecarboximidamide sulfate IUPAC Name: 4-[(2-methylsulfanylphenyl)methyl]piperazine-1-carboximidamide sulfate Traditional Name: 4-[2-(methylthio)benzyl]piperazine-1-carboxamidine sulfate Formula: C26H40N8O4S3-2 MolecularWeight: 624.842

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1CN2CCN(CC2)C(=N)N.CSC1=CC=CC=C1CN2CCN(CC2)C(=N)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CSC1=CC=CC=C1CN2CCN(CC2)C(=N)N.CSC1=CC=CC=C1CN2CCN(CC2)C(=N)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C13H20N4S.H2O4S/c2*1-18-12-5-3-2-4-11(12)10-16-6-8-17(9-7-16)13(14)15;1-5(2,3)4/h2*2-5H,6-10H2,1H3,(H3,14,15);(H2,1,2,3,4)/p-2