[(4-chlorophenyl)methyl-diethyl-azaniumyl]methanethioate

Systemtic Name: [(4-chlorophenyl)methyl-diethyl-azaniumyl]methanethioate Openeye Name: [(4-chlorophenyl)methyl-diethyl-ammonio]methanethioate CAS Name: [(4-chlorophenyl)methyl-diethylammonio]methanethioate IUPAC Name: [(4-chlorophenyl)methyl-diethylazaniumyl]methanethioate Traditional Name: [(4-chlorobenzyl)-diethyl-ammonio]thioformate Formula: C12H16ClNOS MolecularWeight: 257.77954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClNOS/c1-3-14(4-2,12(15)16)9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3