[(3-chloranyl-4-propan-2-yloxy-phenyl)methyl-dipropyl-azaniumyl]methanedithioate

Systemtic Name: [(3-chloranyl-4-propan-2-yloxy-phenyl)methyl-dipropyl-azaniumyl]methanedithioate Openeye Name: [(3-chloro-4-isopropoxy-phenyl)methyl-dipropyl-ammonio]methanedithioate CAS Name: [(3-chloro-4-propan-2-yloxyphenyl)methyl-dipropylammonio]methanedithioate IUPAC Name: [(3-chloro-4-propan-2-yloxyphenyl)methyl-dipropylazaniumyl]methanedithioate Traditional Name: [(3-chloro-4-isopropoxy-benzyl)-dipropyl-ammonio]methanedithioate Formula: C17H26ClNOS2 MolecularWeight: 359.97744

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(CC1=CC(=C(C=C1)OC(C)C)Cl)C(=S)[S-]

Isomeric SMILES

CCC[N+](CCC)(CC1=CC(=C(C=C1)OC(C)C)Cl)C(=S)[S-]

InChI

InChI=1S/C17H26ClNOS2/c1-5-9-19(10-6-2,17(21)22)12-14-7-8-16(15(18)11-14)20-13(3)4/h7-8,11,13H,5-6,9-10,12H2,1-4H3