3-methyl-2-(4-phenylpyridin-1-ium-1-yl)butan-1-ol chloride

Systemtic Name: 3-methyl-2-(4-phenylpyridin-1-ium-1-yl)butan-1-ol chloride Openeye Name: 3-methyl-2-(4-phenylpyridin-1-ium-1-yl)butan-1-ol chloride CAS Name: 3-methyl-2-(4-phenyl-1-pyridin-1-iumyl)-1-butanol chloride IUPAC Name: 3-methyl-2-(4-phenylpyridin-1-ium-1-yl)butan-1-ol chloride Traditional Name: 3-methyl-2-(4-phenylpyridin-1-ium-1-yl)butan-1-ol chloride Formula: C16H20ClNO MolecularWeight: 277.7891

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)[N+]1=CC=C(C=C1)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC(C)C(CO)[N+]1=CC=C(C=C1)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C16H20NO.ClH/c1-13(2)16(12-18)17-10-8-15(9-11-17)14-6-4-3-5-7-14;/h3-11,13,16,18H,12H2,1-2H3;1H/q+1;/p-1