1-[(4-methylsulfanylphenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[4-(methylthio)benzyl]piperazine-1,4-diium Formula: C19H26N2S+2 MolecularWeight: 314.48814

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H24N2S/c1-22-19-9-7-18(8-10-19)16-21-13-11-20(12-14-21)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3/p+2