[2,2-dimethyl-3-[(4-phenoxyphenyl)carbamothioylamino]propyl]-dimethyl-azanium

Systemtic Name: [2,2-dimethyl-3-[(4-phenoxyphenyl)carbamothioylamino]propyl]-dimethyl-azanium Openeye Name: [2,2-dimethyl-3-[(4-phenoxyphenyl)carbamothioylamino]propyl]-dimethyl-ammonium CAS Name: [2,2-dimethyl-3-[[(4-phenoxyanilino)-sulfanylidenemethyl]amino]propyl]-dimethylammonium IUPAC Name: [2,2-dimethyl-3-[(4-phenoxyphenyl)carbamothioylamino]propyl]-dimethylazanium Traditional Name: [2,2-dimethyl-3-[(4-phenoxyphenyl)thiocarbamoylamino]propyl]-dimethyl-ammonium Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=S)NC1=CC=C(C=C1)OC2=CC=CC=C2)C[NH+](C)C

Isomeric SMILES

CC(C)(CNC(=S)NC1=CC=C(C=C1)OC2=CC=CC=C2)C[NH+](C)C

InChI

InChI=1S/C20H27N3OS/c1-20(2,15-23(3)4)14-21-19(25)22-16-10-12-18(13-11-16)24-17-8-6-5-7-9-17/h5-13H,14-15H2,1-4H3,(H2,21,22,25)/p+1