2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxidanylidene-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(2-thienylmethylcarbamoylamino)ethyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-[[oxo-(thiophen-2-ylmethylamino)methyl]amino]ethyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl]azanium Traditional Name: homoveratryl-[2-keto-2-(2-thenylcarbamoylamino)ethyl]-methyl-ammonium Formula: C19H26N3O4S+ MolecularWeight: 392.49244

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC(=O)NC(=O)NCC2=CC=CS2

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)CC(=O)NC(=O)NCC2=CC=CS2

InChI

InChI=1S/C19H25N3O4S/c1-22(9-8-14-6-7-16(25-2)17(11-14)26-3)13-18(23)21-19(24)20-12-15-5-4-10-27-15/h4-7,10-11H,8-9,12-13H2,1-3H3,(H2,20,21,23,24)/p+1