N4,N4-dimethyl-2-methylsulfanyl-N5,3-bis(phenylmethyl)-1,3-thiazol-3-ium-4,5-diamine chloride

Systemtic Name: N4,N4-dimethyl-2-methylsulfanyl-N5,3-bis(phenylmethyl)-1,3-thiazol-3-ium-4,5-diamine chloride Openeye Name: N5,3-dibenzyl-N4,N4-dimethyl-2-methylsulfanyl-thiazol-3-ium-4,5-diamine chloride CAS Name: N4,N4-dimethyl-2-(methylthio)-N5,3-bis(phenylmethyl)thiazol-3-ium-4,5-diamine chloride IUPAC Name: 5-N,3-dibenzyl-4-N,4-N-dimethyl-2-methylsulfanyl-1,3-thiazol-3-ium-4,5-diamine chloride Traditional Name: [3-benzyl-5-(benzylamino)-2-(methylthio)thiazol-3-ium-4-yl]-dimethyl-amine chloride Formula: C20H24ClN3S2 MolecularWeight: 406.00766

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(SC(=[N+]1CC2=CC=CC=C2)SC)NCC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CN(C)C1=C(SC(=[N+]1CC2=CC=CC=C2)SC)NCC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H24N3S2.ClH/c1-22(2)19-18(21-14-16-10-6-4-7-11-16)25-20(24-3)23(19)15-17-12-8-5-9-13-17;/h4-13,21H,14-15H2,1-3H3;1H/q+1;/p-1