N'-oxidanyl-3-(thiomorpholin-4-ium-4-ylmethyl)benzenecarboximidamide

Systemtic Name: N'-oxidanyl-3-(thiomorpholin-4-ium-4-ylmethyl)benzenecarboximidamide Openeye Name: N'-hydroxy-3-(thiomorpholin-4-ium-4-ylmethyl)benzamidine CAS Name: N'-hydroxy-3-(4-thiomorpholin-4-iumylmethyl)benzenecarboximidamide IUPAC Name: N'-hydroxy-3-(thiomorpholin-4-ium-4-ylmethyl)benzenecarboximidamide Traditional Name: N'-hydroxy-3-(thiomorpholin-4-ium-4-ylmethyl)benzamidine Formula: C12H18N3OS+ MolecularWeight: 252.35582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC2=CC=CC(=C2)C(=NO)N

Isomeric SMILES

C1CSCC[NH+]1CC2=CC=CC(=C2)/C(=N\O)/N

InChI

InChI=1S/C12H17N3OS/c13-12(14-16)11-3-1-2-10(8-11)9-15-4-6-17-7-5-15/h1-3,8,16H,4-7,9H2,(H2,13,14)/p+1