(4-methylsulfanylphenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione

Systemtic Name: (4-methylsulfanylphenyl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanethione Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(4-methylsulfanylphenyl)methanethione CAS Name: [4-(methylthio)phenyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanethione IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(4-methylsulfanylphenyl)methanethione Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[4-(methylthio)phenyl]methanethione Formula: C19H23N2S2+ MolecularWeight: 343.52932

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=S)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=S)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N2S2/c1-23-18-9-7-17(8-10-18)19(22)21-13-11-20(12-14-21)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3/p+1