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

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[2-(thiophen-2-ylcarbonylamino)ethyl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[2-(thiophene-2-carbonylamino)ethyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[2-[[oxo(thiophen-2-yl)methyl]amino]ethyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[2-(thiophene-2-carbonylamino)ethyl]azanium Traditional Name: 2-(2-thenoylamino)ethyl-veratryl-ammonium Formula: C16H21N2O3S+ MolecularWeight: 321.41454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH2+]CCNC(=O)C2=CC=CS2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH2+]CCNC(=O)C2=CC=CS2)OC

InChI

InChI=1S/C16H20N2O3S/c1-20-13-6-5-12(10-14(13)21-2)11-17-7-8-18-16(19)15-4-3-9-22-15/h3-6,9-10,17H,7-8,11H2,1-2H3,(H,18,19)/p+1