[(3-chloranyl-4-propan-2-yloxy-phenyl)methyl-diethyl-azaniumyl]methanethioate

Systemtic Name: [(3-chloranyl-4-propan-2-yloxy-phenyl)methyl-diethyl-azaniumyl]methanethioate Openeye Name: [(3-chloro-4-isopropoxy-phenyl)methyl-diethyl-ammonio]methanethioate CAS Name: [(3-chloro-4-propan-2-yloxyphenyl)methyl-diethylammonio]methanethioate IUPAC Name: [(3-chloro-4-propan-2-yloxyphenyl)methyl-diethylazaniumyl]methanethioate Traditional Name: [(3-chloro-4-isopropoxy-benzyl)-diethyl-ammonio]thioformate Formula: C15H22ClNO2S MolecularWeight: 315.85868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22ClNO2S/c1-5-17(6-2,15(18)20)10-12-7-8-14(13(16)9-12)19-11(3)4/h7-9,11H,5-6,10H2,1-4H3