2-[4-oxidanyl-3-[(trimethylazaniumyl)methyl]phenyl]sulfonyl-5-(sulfinatoamino)thiophene iodide

Systemtic Name: 2-[4-oxidanyl-3-[(trimethylazaniumyl)methyl]phenyl]sulfonyl-5-(sulfinatoamino)thiophene iodide Openeye Name: 2-[4-hydroxy-3-[(trimethylammonio)methyl]phenyl]sulfonyl-5-(sulfinatoamino)thiophene iodide CAS Name: 2-[4-hydroxy-3-[(trimethylammonio)methyl]phenyl]sulfonyl-5-(sulfinatoamino)thiophene iodide IUPAC Name: 2-[4-hydroxy-3-[(trimethylazaniumyl)methyl]phenyl]sulfonyl-5-(sulfinatoamino)thiophene iodide Traditional Name: 2-[4-hydroxy-3-[(trimethylammonio)methyl]phenyl]sulfonyl-5-(sulfinatoamino)thiophene iodide Formula: C14H18IN2O5S3- MolecularWeight: 517.40259

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=C(C=CC(=C1)S(=O)(=O)C2=CC=C(S2)NS(=O)[O-])O.[I-]

Isomeric SMILES

C[N+](C)(C)CC1=C(C=CC(=C1)S(=O)(=O)C2=CC=C(S2)NS(=O)[O-])O.[I-]

InChI

InChI=1S/C14H18N2O5S3.HI/c1-16(2,3)9-10-8-11(4-5-12(10)17)24(20,21)14-7-6-13(22-14)15-23(18)19;/h4-8,15H,9H2,1-3H3,(H-,17,18,19);1H/p-1