3-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]propylazanium

Systemtic Name: 3-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]propylazanium Openeye Name: 3-(3,4-dimethoxy-N-methylsulfonyl-anilino)propylammonium CAS Name: 3-(3,4-dimethoxy-N-methylsulfonylanilino)propylammonium IUPAC Name: 3-(3,4-dimethoxy-N-methylsulfonylanilino)propylazanium Traditional Name: 3-(N-mesyl-3,4-dimethoxy-anilino)propylammonium Formula: C12H21N2O4S+ MolecularWeight: 289.37114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CCC[NH3+])S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N(CCC[NH3+])S(=O)(=O)C)OC

InChI

InChI=1S/C12H20N2O4S/c1-17-11-6-5-10(9-12(11)18-2)14(8-4-7-13)19(3,15)16/h5-6,9H,4,7-8,13H2,1-3H3/p+1