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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C[NH+](CCO)CC2=CN=CC=C2)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C[NH+](CCO)CC2=CN=CC=C2)OC)OC

InChI

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