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

Systemtic Name: 3-[(2,4-dimethylphenyl)-ethylsulfonyl-amino]propylazanium Openeye Name: 3-(N-ethylsulfonyl-2,4-dimethyl-anilino)propylammonium CAS Name: 3-(N-ethylsulfonyl-2,4-dimethylanilino)propylammonium IUPAC Name: 3-(N-ethylsulfonyl-2,4-dimethylanilino)propylazanium Traditional Name: 3-(N-esyl-2,4-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=C(C=C(C=C1)C)C

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O2S/c1-4-18(16,17)15(9-5-8-14)13-7-6-11(2)10-12(13)3/h6-7,10H,4-5,8-9,14H2,1-3H3/p+1