3-[(4-methoxycarbonylphenyl)carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-methoxycarbonylphenyl)carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(4-methoxycarbonylphenyl)carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[(4-methoxycarbonylanilino)-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-methoxycarbonylphenyl)carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(4-carbomethoxyphenyl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C14H22N3O2S+ MolecularWeight: 296.40838

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

C[NH+](C)CCCNC(=S)NC1=CC=C(C=C1)C(=O)OC

InChI

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