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

Systemtic Name: 3-[(3,4-dimethoxyphenyl)-ethylsulfonyl-amino]propylazanium Openeye Name: 3-(N-ethylsulfonyl-3,4-dimethoxy-anilino)propylammonium CAS Name: 3-(N-ethylsulfonyl-3,4-dimethoxyanilino)propylammonium IUPAC Name: 3-(N-ethylsulfonyl-3,4-dimethoxyanilino)propylazanium Traditional Name: 3-(N-esyl-3,4-dimethoxy-anilino)propylammonium Formula: C13H23N2O4S+ MolecularWeight: 303.39772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N2O4S/c1-4-20(16,17)15(9-5-8-14)11-6-7-12(18-2)13(10-11)19-3/h6-7,10H,4-5,8-9,14H2,1-3H3/p+1