(5-chloranyl-2,3-dimethoxy-phenyl)methyl-(2-hydroxyethyl)-(pyridin-3-ylmethyl)azanium

Systemtic Name: (5-chloranyl-2,3-dimethoxy-phenyl)methyl-(2-hydroxyethyl)-(pyridin-3-ylmethyl)azanium Openeye Name: (5-chloro-2,3-dimethoxy-phenyl)methyl-(2-hydroxyethyl)-(3-pyridylmethyl)ammonium CAS Name: (5-chloro-2,3-dimethoxyphenyl)methyl-(2-hydroxyethyl)-(3-pyridinylmethyl)ammonium IUPAC Name: (5-chloro-2,3-dimethoxyphenyl)methyl-(2-hydroxyethyl)-(pyridin-3-ylmethyl)azanium Traditional Name: (5-chloro-2,3-dimethoxy-benzyl)-(2-hydroxyethyl)-(3-pyridylmethyl)ammonium Formula: C17H22ClN2O3+ MolecularWeight: 337.82118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O3/c1-22-16-9-15(18)8-14(17(16)23-2)12-20(6-7-21)11-13-4-3-5-19-10-13/h3-5,8-10,21H,6-7,11-12H2,1-2H3/p+1