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

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[2-(pyridin-4-ylcarbonylamino)ethyl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[2-(pyridine-4-carbonylamino)ethyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[2-[[oxo(pyridin-4-yl)methyl]amino]ethyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[2-(pyridine-4-carbonylamino)ethyl]azanium Traditional Name: 2-isonicotinamidoethyl(veratryl)ammonium Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3/c1-22-15-4-3-13(11-16(15)23-2)12-19-9-10-20-17(21)14-5-7-18-8-6-14/h3-8,11,19H,9-10,12H2,1-2H3,(H,20,21)/p+1