3-(5-carbamothioyl-2-methoxy-phenoxy)propyl-dimethyl-azanium

Systemtic Name: 3-(5-carbamothioyl-2-methoxy-phenoxy)propyl-dimethyl-azanium Openeye Name: 3-(5-carbamothioyl-2-methoxy-phenoxy)propyl-dimethyl-ammonium CAS Name: 3-(5-carbamothioyl-2-methoxyphenoxy)propyl-dimethylammonium IUPAC Name: 3-(5-carbamothioyl-2-methoxyphenoxy)propyl-dimethylazanium Traditional Name: 3-(2-methoxy-5-thiocarbamoyl-phenoxy)propyl-dimethyl-ammonium Formula: C13H21N2O2S+ MolecularWeight: 269.38304

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=C(C=CC(=C1)C(=S)N)OC

Isomeric SMILES

C[NH+](C)CCCOC1=C(C=CC(=C1)C(=S)N)OC

InChI

InChI=1S/C13H20N2O2S/c1-15(2)7-4-8-17-12-9-10(13(14)18)5-6-11(12)16-3/h5-6,9H,4,7-8H2,1-3H3,(H2,14,18)/p+1