3-[(3-methylphenyl)-propylsulfonyl-amino]propylazanium

Systemtic Name: 3-[(3-methylphenyl)-propylsulfonyl-amino]propylazanium Openeye Name: 3-(3-methyl-N-propylsulfonyl-anilino)propylammonium CAS Name: 3-(3-methyl-N-propylsulfonylanilino)propylammonium IUPAC Name: 3-(3-methyl-N-propylsulfonylanilino)propylazanium Traditional Name: 3-(3-methyl-N-propylsulfonyl-anilino)propylammonium Formula: C13H23N2O2S+ MolecularWeight: 271.39892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O2S/c1-3-10-18(16,17)15(9-5-8-14)13-7-4-6-12(2)11-13/h4,6-7,11H,3,5,8-10,14H2,1-2H3/p+1