2-[(4-azanylpyridin-1-ium-1-yl)methyl]-4-tert-butyl-6-chloranyl-phenol chloride

Systemtic Name: 2-[(4-azanylpyridin-1-ium-1-yl)methyl]-4-tert-butyl-6-chloranyl-phenol chloride Openeye Name: 2-[(4-aminopyridin-1-ium-1-yl)methyl]-4-tert-butyl-6-chloro-phenol chloride CAS Name: 2-[(4-amino-1-pyridin-1-iumyl)methyl]-4-tert-butyl-6-chlorophenol chloride IUPAC Name: 2-[(4-aminopyridin-1-ium-1-yl)methyl]-4-tert-butyl-6-chlorophenol chloride Traditional Name: 2-[(4-aminopyridin-1-ium-1-yl)methyl]-4-tert-butyl-6-chloro-phenol chloride Formula: C16H20Cl2N2O MolecularWeight: 327.2488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)Cl)O)C[N+]2=CC=C(C=C2)N.[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)Cl)O)C[N+]2=CC=C(C=C2)N.[Cl-]

InChI

InChI=1S/C16H19ClN2O.ClH/c1-16(2,3)12-8-11(15(20)14(17)9-12)10-19-6-4-13(18)5-7-19;/h4-9,18,20H,10H2,1-3H3;1H