[3-[[2-(4-chloranyl-2,6-dimethyl-phenoxy)-3-methoxycarbonyl-6-methyl-pyridin-4-yl]amino]-4-oxidanyl-butyl]-dimethyl-sulfanium

Systemtic Name: [3-[[2-(4-chloranyl-2,6-dimethyl-phenoxy)-3-methoxycarbonyl-6-methyl-pyridin-4-yl]amino]-4-oxidanyl-butyl]-dimethyl-sulfanium Openeye Name: [3-[[2-(4-chloro-2,6-dimethyl-phenoxy)-3-methoxycarbonyl-6-methyl-4-pyridyl]amino]-4-hydroxy-butyl]-dimethyl-sulfonium CAS Name: [3-[[2-(4-chloro-2,6-dimethylphenoxy)-3-methoxycarbonyl-6-methyl-4-pyridinyl]amino]-4-hydroxybutyl]-dimethylsulfonium IUPAC Name: [3-[[2-(4-chloro-2,6-dimethylphenoxy)-3-methoxycarbonyl-6-methylpyridin-4-yl]amino]-4-hydroxybutyl]-dimethylsulfanium Traditional Name: [3-[[3-carbomethoxy-2-(4-chloro-2,6-dimethyl-phenoxy)-6-methyl-4-pyridyl]amino]-4-hydroxy-butyl]-dimethyl-sulfonium Formula: C22H30ClN2O4S+ MolecularWeight: 454.0026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=C(C(=CC(=N2)C)NC(CC[S+](C)C)CO)C(=O)OC)C)Cl

Isomeric SMILES

CC1=CC(=CC(=C1OC2=C(C(=CC(=N2)C)NC(CC[S+](C)C)CO)C(=O)OC)C)Cl

InChI

InChI=1S/C22H29ClN2O4S/c1-13-9-16(23)10-14(2)20(13)29-21-19(22(27)28-4)18(11-15(3)24-21)25-17(12-26)7-8-30(5)6/h9-11,17,26H,7-8,12H2,1-6H3/p+1