(5-ethylsulfonyl-2-methoxy-phenyl)carbonyl-[(1-ethyl-1,2,4-trimethyl-pyrrolidin-1-ium-2-yl)methyl]-dimethyl-azanium

Systemtic Name: (5-ethylsulfonyl-2-methoxy-phenyl)carbonyl-[(1-ethyl-1,2,4-trimethyl-pyrrolidin-1-ium-2-yl)methyl]-dimethyl-azanium Openeye Name: (5-ethylsulfonyl-2-methoxy-benzoyl)-[(1-ethyl-1,2,4-trimethyl-pyrrolidin-1-ium-2-yl)methyl]-dimethyl-ammonium CAS Name: [(5-ethylsulfonyl-2-methoxyphenyl)-oxomethyl]-[(1-ethyl-1,2,4-trimethyl-2-pyrrolidin-1-iumyl)methyl]-dimethylammonium IUPAC Name: (5-ethylsulfonyl-2-methoxybenzoyl)-[(1-ethyl-1,2,4-trimethylpyrrolidin-1-ium-2-yl)methyl]-dimethylazanium Traditional Name: (5-esyl-2-methoxy-benzoyl)-[(1-ethyl-1,2,4-trimethyl-pyrrolidin-1-ium-2-yl)methyl]-dimethyl-ammonium Formula: C22H38N2O4S+2 MolecularWeight: 426.61312

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC(CC1(C)C[N+](C)(C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC)C)C

Isomeric SMILES

CC[N+]1(CC(CC1(C)C[N+](C)(C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC)C)C

InChI

InChI=1S/C22H38N2O4S/c1-9-24(7)15-17(3)14-22(24,4)16-23(5,6)21(25)19-13-18(29(26,27)10-2)11-12-20(19)28-8/h11-13,17H,9-10,14-16H2,1-8H3/q+2