3-[(4-methoxy-3-methoxycarbonyl-phenyl)methylcarbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(4-methoxy-3-methoxycarbonyl-phenyl)methylcarbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(4-methoxy-3-methoxycarbonyl-phenyl)methylcarbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[(4-methoxy-3-methoxycarbonylphenyl)methylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(4-methoxy-3-methoxycarbonylphenyl)methylcarbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[(3-carbomethoxy-4-methoxy-benzyl)thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C16H26N3O3S+ MolecularWeight: 340.46094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)NCC1=CC(=C(C=C1)OC)C(=O)OC

Isomeric SMILES

C[NH+](C)CCCNC(=S)NCC1=CC(=C(C=C1)OC)C(=O)OC

InChI

InChI=1S/C16H25N3O3S/c1-19(2)9-5-8-17-16(23)18-11-12-6-7-14(21-3)13(10-12)15(20)22-4/h6-7,10H,5,8-9,11H2,1-4H3,(H2,17,18,23)/p+1