(2S,4S)-2-[(3,4-dimethylphenyl)methylsulfanyl]-4-methyl-imidazolidine-1,3-diium

Systemtic Name: (2S,4S)-2-[(3,4-dimethylphenyl)methylsulfanyl]-4-methyl-imidazolidine-1,3-diium Openeye Name: (2S,4S)-2-[(3,4-dimethylphenyl)methylsulfanyl]-4-methyl-imidazolidine-1,3-diium CAS Name: (2S,4S)-2-[(3,4-dimethylphenyl)methylthio]-4-methylimidazolidine-1,3-diium IUPAC Name: (2S,4S)-2-[(3,4-dimethylphenyl)methylsulfanyl]-4-methylimidazolidine-1,3-diium Traditional Name: (2S,4S)-2-[(3,4-dimethylbenzyl)thio]-4-methyl-imidazolidine-1,3-diium Formula: C13H22N2S+2 MolecularWeight: 238.39218

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH2+]C([NH2+]1)SCC2=CC(=C(C=C2)C)C

Isomeric SMILES

C[C@H]1C[NH2+][C@@H]([NH2+]1)SCC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C13H20N2S/c1-9-4-5-12(6-10(9)2)8-16-13-14-7-11(3)15-13/h4-6,11,13-15H,7-8H2,1-3H3/p+2/t11-,13-/m0/s1