3-[[4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole

Systemtic Name: 3-[[4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-[[4-(methylthio)phenyl]methyl]-1-piperazine-1,4-diiumyl]methyl]-1H-indole IUPAC Name: 3-[[4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole Traditional Name: 3-[[4-[4-(methylthio)benzyl]piperazine-1,4-diium-1-yl]methyl]-1H-indole Formula: C21H27N3S+2 MolecularWeight: 353.52418

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CSC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C21H25N3S/c1-25-19-8-6-17(7-9-19)15-23-10-12-24(13-11-23)16-18-14-22-21-5-3-2-4-20(18)21/h2-9,14,22H,10-13,15-16H2,1H3/p+2