5-(iodanylmethyl)-2-(2-methylpropyl)-6-methylsulfanyl-1-oxidanidyl-3-phenylmethoxy-pyrazin-1-ium

Systemtic Name: 5-(iodanylmethyl)-2-(2-methylpropyl)-6-methylsulfanyl-1-oxidanidyl-3-phenylmethoxy-pyrazin-1-ium Openeye Name: 3-benzyloxy-5-(iodomethyl)-2-isobutyl-6-methylsulfanyl-1-oxido-pyrazin-1-ium CAS Name: 5-(iodomethyl)-2-(2-methylpropyl)-6-(methylthio)-1-oxido-3-phenylmethoxypyrazin-1-ium IUPAC Name: 5-(iodomethyl)-2-(2-methylpropyl)-6-methylsulfanyl-1-oxido-3-phenylmethoxypyrazin-1-ium Traditional Name: 3-benzoxy-5-(iodomethyl)-2-isobutyl-6-(methylthio)-1-oxido-pyrazin-1-ium Formula: C17H21IN2O2S MolecularWeight: 444.33031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CI)SC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)CI)SC)[O-]

InChI

InChI=1S/C17H21IN2O2S/c1-12(2)9-15-16(22-11-13-7-5-4-6-8-13)19-14(10-18)17(23-3)20(15)21/h4-8,12H,9-11H2,1-3H3