3-[[2-(azaniumylmethyl)phenyl]methylsulfonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[2-(azaniumylmethyl)phenyl]methylsulfonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(azaniumylmethyl)phenyl]methylsulfonylamino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(ammoniomethyl)phenyl]methylsulfonylamino]propyl-dimethylammonium IUPAC Name: 3-[[2-(azaniumylmethyl)phenyl]methylsulfonylamino]propyl-dimethylazanium Traditional Name: 3-[[2-(ammoniomethyl)benzyl]sulfonylamino]propyl-dimethyl-ammonium Formula: C13H25N3O2S+2 MolecularWeight: 287.4215

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNS(=O)(=O)CC1=CC=CC=C1C[NH3+]

Isomeric SMILES

C[NH+](C)CCCNS(=O)(=O)CC1=CC=CC=C1C[NH3+]

InChI

InChI=1S/C13H23N3O2S/c1-16(2)9-5-8-15-19(17,18)11-13-7-4-3-6-12(13)10-14/h3-4,6-7,15H,5,8-11,14H2,1-2H3/p+2