3-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[(3,4-dimethoxyphenyl)methylamino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[(3,4-dimethoxyphenyl)methylcarbamothioylamino]propyl-dimethylazanium Traditional Name: dimethyl-[3-(veratrylthiocarbamoylamino)propyl]ammonium Formula: C15H26N3O2S+ MolecularWeight: 312.45084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N3O2S/c1-18(2)9-5-8-16-15(21)17-11-12-6-7-13(19-3)14(10-12)20-4/h6-7,10H,5,8-9,11H2,1-4H3,(H2,16,17,21)/p+1