2-hydroxyethyl-[[3-(hydroxymethyl)-4-methoxy-phenyl]methyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: 2-hydroxyethyl-[[3-(hydroxymethyl)-4-methoxy-phenyl]methyl]-(pyridin-3-ylmethyl)azanium Openeye Name: 2-hydroxyethyl-[[3-(hydroxymethyl)-4-methoxy-phenyl]methyl]-(3-pyridylmethyl)ammonium CAS Name: 2-hydroxyethyl-[[3-(hydroxymethyl)-4-methoxyphenyl]methyl]-(3-pyridinylmethyl)ammonium IUPAC Name: 2-hydroxyethyl-[[3-(hydroxymethyl)-4-methoxyphenyl]methyl]-(pyridin-3-ylmethyl)azanium Traditional Name: 2-hydroxyethyl-(4-methoxy-3-methylol-benzyl)-(3-pyridylmethyl)ammonium Formula: C17H23N2O3+ MolecularWeight: 303.37612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3/c1-22-17-5-4-14(9-16(17)13-21)11-19(7-8-20)12-15-3-2-6-18-10-15/h2-6,9-10,20-21H,7-8,11-13H2,1H3/p+1