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

Systemtic Name: 1-[(2S)-butan-2-yl]-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium Openeye Name: 1-[(1S)-1-methylpropyl]-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(2S)-butan-2-yl]-4-[[4-(methylthio)phenyl]methyl]piperazine-1,4-diium IUPAC Name: 1-[(2S)-butan-2-yl]-4-[(4-methylsulfanylphenyl)methyl]piperazine-1,4-diium Traditional Name: 1-[(1S)-1-methylpropyl]-4-[4-(methylthio)benzyl]piperazine-1,4-diium Formula: C16H28N2S+2 MolecularWeight: 280.47192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2S/c1-4-14(2)18-11-9-17(10-12-18)13-15-5-7-16(19-3)8-6-15/h5-8,14H,4,9-13H2,1-3H3/p+2/t14-/m0/s1