2-(2,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethylazanium

Systemtic Name: 2-(2,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethylazanium Openeye Name: 2-(2,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethylammonium CAS Name: 2-[2,5-dimethyl-4-(1-pyrrolidinylsulfonyl)phenoxy]ethylammonium IUPAC Name: 2-(2,5-dimethyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethylazanium Traditional Name: 2-(2,5-dimethyl-4-pyrrolidinosulfonyl-phenoxy)ethylammonium Formula: C14H23N2O3S+ MolecularWeight: 299.40902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1S(=O)(=O)N2CCCC2)C)OCC[NH3+]

Isomeric SMILES

CC1=CC(=C(C=C1S(=O)(=O)N2CCCC2)C)OCC[NH3+]

InChI

InChI=1S/C14H22N2O3S/c1-11-10-14(12(2)9-13(11)19-8-5-15)20(17,18)16-6-3-4-7-16/h9-10H,3-8,15H2,1-2H3/p+1