2-(thiophen-2-ylcarbonylamino)ethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium

Systemtic Name: 2-(thiophen-2-ylcarbonylamino)ethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium Openeye Name: 2-(thiophene-2-carbonylamino)ethyl-[(3,4,5-trimethoxyphenyl)methyl]ammonium CAS Name: 2-[[oxo(thiophen-2-yl)methyl]amino]ethyl-[(3,4,5-trimethoxyphenyl)methyl]ammonium IUPAC Name: 2-(thiophene-2-carbonylamino)ethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium Traditional Name: 2-(2-thenoylamino)ethyl-(3,4,5-trimethoxybenzyl)ammonium Formula: C17H23N2O4S+ MolecularWeight: 351.44052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C[NH2+]CCNC(=O)C2=CC=CS2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C[NH2+]CCNC(=O)C2=CC=CS2

InChI

InChI=1S/C17H22N2O4S/c1-21-13-9-12(10-14(22-2)16(13)23-3)11-18-6-7-19-17(20)15-5-4-8-24-15/h4-5,8-10,18H,6-7,11H2,1-3H3,(H,19,20)/p+1