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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH2+]CCNC(=O)C2=CN=CC=C2)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH2+]CCNC(=O)C2=CN=CC=C2)OC)OC

InChI

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