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

Systemtic Name: (1-ethyl-1,2,4-trimethyl-pyrrolidin-1-ium-2-yl)methyl-[2-methoxy-5-(trimethylazaniumyl)sulfonyl-phenyl]carbonyl-dimethyl-azanium Openeye Name: (1-ethyl-1,2,4-trimethyl-pyrrolidin-1-ium-2-yl)methyl-[2-methoxy-5-(trimethylammonio)sulfonyl-benzoyl]-dimethyl-ammonium CAS Name: (1-ethyl-1,2,4-trimethyl-2-pyrrolidin-1-iumyl)methyl-[[2-methoxy-5-(trimethylammonio)sulfonylphenyl]-oxomethyl]-dimethylammonium IUPAC Name: (1-ethyl-1,2,4-trimethylpyrrolidin-1-ium-2-yl)methyl-[2-methoxy-5-(trimethylazaniumyl)sulfonylbenzoyl]-dimethylazanium Traditional Name: (1-ethyl-1,2,4-trimethyl-pyrrolidin-1-ium-2-yl)methyl-[2-methoxy-5-(trimethylammonio)sulfonyl-benzoyl]-dimethyl-ammonium Formula: C23H42N3O4S+3 MolecularWeight: 456.66228

Click to see the large picture

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)[N+](C)(C)C)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)[N+](C)(C)C)OC)C)C

InChI

InChI=1S/C23H42N3O4S/c1-11-26(9)16-18(2)15-23(26,3)17-25(7,8)22(27)20-14-19(12-13-21(20)30-10)31(28,29)24(4,5)6/h12-14,18H,11,15-17H2,1-10H3/q+3