3-[(3,5-dimethylphenyl)-ethylsulfonyl-amino]propylazanium

Systemtic Name: 3-[(3,5-dimethylphenyl)-ethylsulfonyl-amino]propylazanium Openeye Name: 3-(N-ethylsulfonyl-3,5-dimethyl-anilino)propylammonium CAS Name: 3-(N-ethylsulfonyl-3,5-dimethylanilino)propylammonium IUPAC Name: 3-(N-ethylsulfonyl-3,5-dimethylanilino)propylazanium Traditional Name: 3-(N-esyl-3,5-dimethyl-anilino)propylammonium Formula: C13H23N2O2S+ MolecularWeight: 271.39892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O2S/c1-4-18(16,17)15(7-5-6-14)13-9-11(2)8-12(3)10-13/h8-10H,4-7,14H2,1-3H3/p+1