2-hydroxyethyl-(pyridin-3-ylmethyl)-[(2,4,5-trimethoxyphenyl)methyl]azanium

Systemtic Name: 2-hydroxyethyl-(pyridin-3-ylmethyl)-[(2,4,5-trimethoxyphenyl)methyl]azanium Openeye Name: 2-hydroxyethyl-(3-pyridylmethyl)-[(2,4,5-trimethoxyphenyl)methyl]ammonium CAS Name: 2-hydroxyethyl-(3-pyridinylmethyl)-[(2,4,5-trimethoxyphenyl)methyl]ammonium IUPAC Name: 2-hydroxyethyl-(pyridin-3-ylmethyl)-[(2,4,5-trimethoxyphenyl)methyl]azanium Traditional Name: 2-hydroxyethyl-(3-pyridylmethyl)-(2,4,5-trimethoxybenzyl)ammonium Formula: C18H25N2O4+ MolecularWeight: 333.4021

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+](CCO)CC2=CN=CC=C2)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+](CCO)CC2=CN=CC=C2)OC)OC

InChI

InChI=1S/C18H24N2O4/c1-22-16-10-18(24-3)17(23-2)9-15(16)13-20(7-8-21)12-14-5-4-6-19-11-14/h4-6,9-11,21H,7-8,12-13H2,1-3H3/p+1