(3-methoxy-4-oxidanyl-phenyl)methyl-[methylsulfanyl-(octylamino)methylidene]azanium iodide

Systemtic Name: (3-methoxy-4-oxidanyl-phenyl)methyl-[methylsulfanyl-(octylamino)methylidene]azanium iodide Openeye Name: (4-hydroxy-3-methoxy-phenyl)methyl-[methylsulfanyl-(octylamino)methylene]ammonium iodide CAS Name: (4-hydroxy-3-methoxyphenyl)methyl-[(methylthio)-(octylamino)methylidene]ammonium iodide IUPAC Name: (4-hydroxy-3-methoxyphenyl)methyl-[methylsulfanyl-(octylamino)methylidene]azanium iodide Traditional Name: [(methylthio)-(octylamino)methylene]-vanillyl-ammonium iodide Formula: C18H31IN2O2S MolecularWeight: 466.42041

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=[NH+]CC1=CC(=C(C=C1)O)OC)SC.[I-]

Isomeric SMILES

CCCCCCCCNC(=[NH+]CC1=CC(=C(C=C1)O)OC)SC.[I-]

InChI

InChI=1S/C18H30N2O2S.HI/c1-4-5-6-7-8-9-12-19-18(23-3)20-14-15-10-11-16(21)17(13-15)22-2;/h10-11,13,21H,4-9,12,14H2,1-3H3,(H,19,20);1H