3-[2-(4-carbamothioylphenoxy)ethanoylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-(4-carbamothioylphenoxy)ethanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(4-carbamothioylphenoxy)acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(4-carbamothioylphenoxy)-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(4-carbamothioylphenoxy)acetyl]amino]propyl-dimethylazanium Traditional Name: dimethyl-[3-[[2-(4-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=C(C=C1)C(=S)N

Isomeric SMILES

C[NH+](C)CCCNC(=O)COC1=CC=C(C=C1)C(=S)N

InChI

InChI=1S/C14H21N3O2S/c1-17(2)9-3-8-16-13(18)10-19-12-6-4-11(5-7-12)14(15)20/h4-7H,3,8-10H2,1-2H3,(H2,15,20)(H,16,18)/p+1