[dimethyl(4-phenoxybutyl)azaniumyl]methanethioate

Systemtic Name: [dimethyl(4-phenoxybutyl)azaniumyl]methanethioate Openeye Name: [dimethyl(4-phenoxybutyl)ammonio]methanethioate CAS Name: [dimethyl(4-phenoxybutyl)ammonio]methanethioate IUPAC Name: [dimethyl(4-phenoxybutyl)azaniumyl]methanethioate Traditional Name: [dimethyl(4-phenoxybutyl)ammonio]thioformate Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCOC1=CC=CC=C1)C(=S)[O-]

Isomeric SMILES

C[N+](C)(CCCCOC1=CC=CC=C1)C(=S)[O-]

InChI

InChI=1S/C13H19NO2S/c1-14(2,13(15)17)10-6-7-11-16-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3