3-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]propylazanium

Systemtic Name: 3-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]propylazanium Openeye Name: 3-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]propylammonium CAS Name: 3-[(2,5-dimethylphenyl)sulfonyl-methylamino]propylammonium IUPAC Name: 3-[(2,5-dimethylphenyl)sulfonyl-methylamino]propylazanium Traditional Name: 3-[(2,5-dimethylphenyl)sulfonyl-methyl-amino]propylammonium Formula: C12H21N2O2S+ MolecularWeight: 257.37234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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