(3,5-dimethoxy-4-oxidanyl-phenyl)methyl-[2-(pyridin-3-ylcarbonylamino)ethyl]azanium

Systemtic Name: (3,5-dimethoxy-4-oxidanyl-phenyl)methyl-[2-(pyridin-3-ylcarbonylamino)ethyl]azanium Openeye Name: (4-hydroxy-3,5-dimethoxy-phenyl)methyl-[2-(pyridine-3-carbonylamino)ethyl]ammonium CAS Name: (4-hydroxy-3,5-dimethoxyphenyl)methyl-[2-[[oxo(3-pyridinyl)methyl]amino]ethyl]ammonium IUPAC Name: (4-hydroxy-3,5-dimethoxyphenyl)methyl-[2-(pyridine-3-carbonylamino)ethyl]azanium Traditional Name: (4-hydroxy-3,5-dimethoxy-benzyl)-(2-nicotinamidoethyl)ammonium Formula: C17H22N3O4+ MolecularWeight: 332.37428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH2+]CCNC(=O)C2=CN=CC=C2

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH2+]CCNC(=O)C2=CN=CC=C2

InChI

InChI=1S/C17H21N3O4/c1-23-14-8-12(9-15(24-2)16(14)21)10-19-6-7-20-17(22)13-4-3-5-18-11-13/h3-5,8-9,11,19,21H,6-7,10H2,1-2H3,(H,20,22)/p+1