3-[[bis(phenylmethyl)azaniumylidene-methylsulfanyl-methyl]amino]propyl-trimethyl-azanium diiodide

Systemtic Name: 3-[[bis(phenylmethyl)azaniumylidene-methylsulfanyl-methyl]amino]propyl-trimethyl-azanium diiodide Openeye Name: 3-[[dibenzyliminio(methylsulfanyl)methyl]amino]propyl-trimethyl-ammonium diiodide CAS Name: 3-[[bis(phenylmethyl)iminio-(methylthio)methyl]amino]propyl-trimethylammonium diiodide IUPAC Name: 3-[[dibenzylazaniumylidene(methylsulfanyl)methyl]amino]propyl-trimethylazanium diiodide Traditional Name: 3-[[dibenzyliminio-(methylthio)methyl]amino]propyl-trimethyl-ammonium diiodide Formula: C22H33I2N3S MolecularWeight: 625.39146

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCNC(=[N+](CC1=CC=CC=C1)CC2=CC=CC=C2)SC.[I-].[I-]

Isomeric SMILES

C[N+](C)(C)CCCNC(=[N+](CC1=CC=CC=C1)CC2=CC=CC=C2)SC.[I-].[I-]

InChI

InChI=1S/C22H32N3S.2HI/c1-25(2,3)17-11-16-23-22(26-4)24(18-20-12-7-5-8-13-20)19-21-14-9-6-10-15-21;;/h5-10,12-15H,11,16-19H2,1-4H3;2*1H/q+1;;/p-1