5-[[1-(1-ethoxyethyl)pyridin-1-ium-3-yl]methylamino]-2-methyl-phenol chloride

Systemtic Name: 5-[[1-(1-ethoxyethyl)pyridin-1-ium-3-yl]methylamino]-2-methyl-phenol chloride Openeye Name: 5-[[1-(1-ethoxyethyl)pyridin-1-ium-3-yl]methylamino]-2-methyl-phenol chloride CAS Name: 5-[[1-(1-ethoxyethyl)-3-pyridin-1-iumyl]methylamino]-2-methylphenol chloride IUPAC Name: 5-[[1-(1-ethoxyethyl)pyridin-1-ium-3-yl]methylamino]-2-methylphenol chloride Traditional Name: 5-[[1-(1-ethoxyethyl)pyridin-1-ium-3-yl]methylamino]-2-methyl-phenol chloride Formula: C17H23ClN2O2 MolecularWeight: 322.82972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)[N+]1=CC=CC(=C1)CNC2=CC(=C(C=C2)C)O.[Cl-]

Isomeric SMILES

CCOC(C)[N+]1=CC=CC(=C1)CNC2=CC(=C(C=C2)C)O.[Cl-]

InChI

InChI=1S/C17H22N2O2.ClH/c1-4-21-14(3)19-9-5-6-15(12-19)11-18-16-8-7-13(2)17(20)10-16;/h5-10,12,14,18H,4,11H2,1-3H3;1H