2-[(4-methoxy-3-methoxycarbonyl-phenyl)methylcarbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-methoxy-3-methoxycarbonyl-phenyl)methylcarbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-methoxy-3-methoxycarbonyl-phenyl)methylcarbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[(4-methoxy-3-methoxycarbonylphenyl)methylamino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-methoxy-3-methoxycarbonylphenyl)methylcarbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[(3-carbomethoxy-4-methoxy-benzyl)thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C15H24N3O3S+ MolecularWeight: 326.43436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O3S/c1-18(2)8-7-16-15(22)17-10-11-5-6-13(20-3)12(9-11)14(19)21-4/h5-6,9H,7-8,10H2,1-4H3,(H2,16,17,22)/p+1