carbamothioyl-[3-chloranyl-4-(5-chloranyl-4,6-dimethoxy-pyridin-2-yl)oxy-phenyl]-ethyl-hex-4-ynyl-azanium

Systemtic Name: carbamothioyl-[3-chloranyl-4-(5-chloranyl-4,6-dimethoxy-pyridin-2-yl)oxy-phenyl]-ethyl-hex-4-ynyl-azanium Openeye Name: carbamothioyl-[3-chloro-4-[(5-chloro-4,6-dimethoxy-2-pyridyl)oxy]phenyl]-ethyl-hex-4-ynyl-ammonium CAS Name: carbamothioyl-[3-chloro-4-[(5-chloro-4,6-dimethoxy-2-pyridinyl)oxy]phenyl]-ethyl-hex-4-ynylammonium IUPAC Name: carbamothioyl-[3-chloro-4-(5-chloro-4,6-dimethoxypyridin-2-yl)oxyphenyl]-ethyl-hex-4-ynylazanium Traditional Name: [3-chloro-4-[(5-chloro-4,6-dimethoxy-2-pyridyl)oxy]phenyl]-ethyl-hex-4-ynyl-thiocarbamoyl-ammonium Formula: C22H26Cl2N3O3S+ MolecularWeight: 483.43114

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CCCC#CC)(C1=CC(=C(C=C1)OC2=NC(=C(C(=C2)OC)Cl)OC)Cl)C(=S)N

Isomeric SMILES

CC[N+](CCCC#CC)(C1=CC(=C(C=C1)OC2=NC(=C(C(=C2)OC)Cl)OC)Cl)C(=S)N

InChI

InChI=1S/C22H25Cl2N3O3S/c1-5-7-8-9-12-27(6-2,22(25)31)15-10-11-17(16(23)13-15)30-19-14-18(28-3)20(24)21(26-19)29-4/h10-11,13-14H,6,8-9,12H2,1-4H3,(H-,25,31)/p+1