2-[(5-methoxycarbonyl-2-methyl-phenyl)carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5-methoxycarbonyl-2-methyl-phenyl)carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(5-methoxycarbonyl-2-methyl-phenyl)carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[(5-methoxycarbonyl-2-methylanilino)-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(5-methoxycarbonyl-2-methylphenyl)carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[(5-carbomethoxy-2-methyl-phenyl)thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C14H22N3O2S+ MolecularWeight: 296.40838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NCC[NH+](C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NCC[NH+](C)C

InChI

InChI=1S/C14H21N3O2S/c1-10-5-6-11(13(18)19-4)9-12(10)16-14(20)15-7-8-17(2)3/h5-6,9H,7-8H2,1-4H3,(H2,15,16,20)/p+1