2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]ethylazanium

Systemtic Name: 2-[(3,4-dimethoxyphenyl)-methylsulfonyl-amino]ethylazanium Openeye Name: 2-(3,4-dimethoxy-N-methylsulfonyl-anilino)ethylammonium CAS Name: 2-(3,4-dimethoxy-N-methylsulfonylanilino)ethylammonium IUPAC Name: 2-(3,4-dimethoxy-N-methylsulfonylanilino)ethylazanium Traditional Name: 2-(N-mesyl-3,4-dimethoxy-anilino)ethylammonium Formula: C11H19N2O4S+ MolecularWeight: 275.34456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N2O4S/c1-16-10-5-4-9(8-11(10)17-2)13(7-6-12)18(3,14)15/h4-5,8H,6-7,12H2,1-3H3/p+1