1-[(4-methylsulfanylphenyl)methyl]-4-propan-2-yl-piperazine-1,4-diium

Systemtic Name: 1-[(4-methylsulfanylphenyl)methyl]-4-propan-2-yl-piperazine-1,4-diium Openeye Name: 1-isopropyl-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[[4-(methylthio)phenyl]methyl]-4-propan-2-ylpiperazine-1,4-diium IUPAC Name: 1-[(4-methylsulfanylphenyl)methyl]-4-propan-2-ylpiperazine-1,4-diium Traditional Name: 1-isopropyl-4-[4-(methylthio)benzyl]piperazine-1,4-diium Formula: C15H26N2S+2 MolecularWeight: 266.44534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CC[NH+](CC1)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)[NH+]1CC[NH+](CC1)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C15H24N2S/c1-13(2)17-10-8-16(9-11-17)12-14-4-6-15(18-3)7-5-14/h4-7,13H,8-12H2,1-3H3/p+2