3-[[4-(azaniumylmethyl)phenyl]methylsulfonylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-(azaniumylmethyl)phenyl]methylsulfonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(azaniumylmethyl)phenyl]methylsulfonylamino]propyl-dimethyl-ammonium CAS Name: 3-[[4-(ammoniomethyl)phenyl]methylsulfonylamino]propyl-dimethylammonium IUPAC Name: 3-[[4-(azaniumylmethyl)phenyl]methylsulfonylamino]propyl-dimethylazanium Traditional Name: 3-[[4-(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=C(C=C1)C[NH3+]

Isomeric SMILES

C[NH+](C)CCCNS(=O)(=O)CC1=CC=C(C=C1)C[NH3+]

InChI

InChI=1S/C13H23N3O2S/c1-16(2)9-3-8-15-19(17,18)11-13-6-4-12(10-14)5-7-13/h4-7,15H,3,8-11,14H2,1-2H3/p+2