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

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[2-(pyridin-3-ylcarbonylamino)ethyl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[2-(pyridine-3-carbonylamino)ethyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[2-[[oxo(3-pyridinyl)methyl]amino]ethyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[2-(pyridine-3-carbonylamino)ethyl]azanium Traditional Name: 2-nicotinamidoethyl(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=CN=CC=C2)OC

Isomeric SMILES

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

InChI

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