3-[2-(2-carbamothioylphenoxy)ethanoylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-(2-carbamothioylphenoxy)ethanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(2-carbamothioylphenoxy)acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(2-carbamothioylphenoxy)-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(2-carbamothioylphenoxy)acetyl]amino]propyl-dimethylazanium Traditional Name: dimethyl-[3-[[2-(2-thiocarbamoylphenoxy)acetyl]amino]propyl]ammonium Formula: C14H22N3O2S+ MolecularWeight: 296.40838

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)COC1=CC=CC=C1C(=S)N

Isomeric SMILES

C[NH+](C)CCCNC(=O)COC1=CC=CC=C1C(=S)N

InChI

InChI=1S/C14H21N3O2S/c1-17(2)9-5-8-16-13(18)10-19-12-7-4-3-6-11(12)14(15)20/h3-4,6-7H,5,8-10H2,1-2H3,(H2,15,20)(H,16,18)/p+1