1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[[4-(methylthio)phenyl]methyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-[4-(methylthio)benzyl]-4-piperonyl-piperazine-1,4-diium Formula: C20H26N2O2S+2 MolecularWeight: 358.49764

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H24N2O2S/c1-25-18-5-2-16(3-6-18)13-21-8-10-22(11-9-21)14-17-4-7-19-20(12-17)24-15-23-19/h2-7,12H,8-11,13-15H2,1H3/p+2