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

Systemtic Name: [2-ethylsulfonyl-4-[(1-ethyl-1,2,4-trimethyl-pyrrolidin-1-ium-2-yl)methyl-dimethyl-azaniumyl]carbonyl-5-methoxy-phenyl]-trimethyl-azanium Openeye Name: [2-ethylsulfonyl-4-[(1-ethyl-1,2,4-trimethyl-pyrrolidin-1-ium-2-yl)methyl-dimethyl-ammonio]carbonyl-5-methoxy-phenyl]-trimethyl-ammonium CAS Name: [2-ethylsulfonyl-4-[[(1-ethyl-1,2,4-trimethyl-2-pyrrolidin-1-iumyl)methyl-dimethylammonio]-oxomethyl]-5-methoxyphenyl]-trimethylammonium IUPAC Name: [2-ethylsulfonyl-4-[(1-ethyl-1,2,4-trimethylpyrrolidin-1-ium-2-yl)methyl-dimethylazaniumyl]carbonyl-5-methoxyphenyl]-trimethylazanium Traditional Name: [2-esyl-4-[(1-ethyl-1,2,4-trimethyl-pyrrolidin-1-ium-2-yl)methyl-dimethyl-ammonio]carbonyl-5-methoxy-phenyl]-trimethyl-ammonium Formula: C25H46N3O4S+3 MolecularWeight: 484.71544

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC(CC1(C)C[N+](C)(C)C(=O)C2=CC(=C(C=C2OC)[N+](C)(C)C)S(=O)(=O)CC)C)C

Isomeric SMILES

CC[N+]1(CC(CC1(C)C[N+](C)(C)C(=O)C2=CC(=C(C=C2OC)[N+](C)(C)C)S(=O)(=O)CC)C)C

InChI

InChI=1S/C25H46N3O4S/c1-12-28(10)17-19(3)16-25(28,4)18-27(8,9)24(29)20-14-23(33(30,31)13-2)21(26(5,6)7)15-22(20)32-11/h14-15,19H,12-13,16-18H2,1-11H3/q+3