2-[(2,5-dimethylphenyl)sulfonyl-ethyl-amino]ethylazanium

Systemtic Name: 2-[(2,5-dimethylphenyl)sulfonyl-ethyl-amino]ethylazanium Openeye Name: 2-[(2,5-dimethylphenyl)sulfonyl-ethyl-amino]ethylammonium CAS Name: 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]ethylammonium IUPAC Name: 2-[(2,5-dimethylphenyl)sulfonyl-ethylamino]ethylazanium Traditional Name: 2-[(2,5-dimethylphenyl)sulfonyl-ethyl-amino]ethylammonium Formula: C12H21N2O2S+ MolecularWeight: 257.37234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC[NH3+])S(=O)(=O)C1=C(C=CC(=C1)C)C

Isomeric SMILES

CCN(CC[NH3+])S(=O)(=O)C1=C(C=CC(=C1)C)C

InChI

InChI=1S/C12H20N2O2S/c1-4-14(8-7-13)17(15,16)12-9-10(2)5-6-11(12)3/h5-6,9H,4,7-8,13H2,1-3H3/p+1