2-[(3,4-dimethoxyphenyl)carbonylamino]ethyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: 2-[(3,4-dimethoxyphenyl)carbonylamino]ethyl-(thiophen-2-ylmethyl)azanium Openeye Name: 2-[(3,4-dimethoxybenzoyl)amino]ethyl-(2-thienylmethyl)ammonium CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]ethyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: 2-[(3,4-dimethoxybenzoyl)amino]ethyl-(thiophen-2-ylmethyl)azanium Traditional Name: 2-thenyl-[2-(veratroylamino)ethyl]ammonium Formula: C16H21N2O3S+ MolecularWeight: 321.41454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC[NH2+]CC2=CC=CS2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC[NH2+]CC2=CC=CS2)OC

InChI

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