3-[(2,4-dimethylphenyl)-methylsulfonyl-amino]propylazanium

Systemtic Name: 3-[(2,4-dimethylphenyl)-methylsulfonyl-amino]propylazanium Openeye Name: 3-(2,4-dimethyl-N-methylsulfonyl-anilino)propylammonium CAS Name: 3-(2,4-dimethyl-N-methylsulfonylanilino)propylammonium IUPAC Name: 3-(2,4-dimethyl-N-methylsulfonylanilino)propylazanium Traditional Name: 3-(N-mesyl-2,4-dimethyl-anilino)propylammonium Formula: C12H21N2O2S+ MolecularWeight: 257.37234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N(CCC[NH3+])S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N(CCC[NH3+])S(=O)(=O)C)C

InChI

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