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

Systemtic Name: 2-(pyridin-3-ylcarbonylamino)ethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium Openeye Name: 2-(pyridine-3-carbonylamino)ethyl-[(3,4,5-trimethoxyphenyl)methyl]ammonium CAS Name: 2-[[oxo(3-pyridinyl)methyl]amino]ethyl-[(3,4,5-trimethoxyphenyl)methyl]ammonium IUPAC Name: 2-(pyridine-3-carbonylamino)ethyl-[(3,4,5-trimethoxyphenyl)methyl]azanium Traditional Name: 2-nicotinamidoethyl-(3,4,5-trimethoxybenzyl)ammonium Formula: C18H24N3O4+ MolecularWeight: 346.40086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4/c1-23-15-9-13(10-16(24-2)17(15)25-3)11-20-7-8-21-18(22)14-5-4-6-19-12-14/h4-6,9-10,12,20H,7-8,11H2,1-3H3,(H,21,22)/p+1