5-[[1-(1-ethoxyethyl)pyridin-1-ium-3-yl]amino]-2-ethyl-phenol chloride

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC2=C[N+](=CC=C2)C(C)OCC)O.[Cl-]

Isomeric SMILES

CCC1=C(C=C(C=C1)NC2=C[N+](=CC=C2)C(C)OCC)O.[Cl-]

InChI

InChI=1S/C17H22N2O2.ClH/c1-4-14-8-9-15(11-17(14)20)18-16-7-6-10-19(12-16)13(3)21-5-2;/h6-13,18H,4-5H2,1-3H3;1H