(3-azanylpyridin-1-ium-4-yl)-(2-oxidanyl-2-phenyl-ethyl)azanium dichloride

Systemtic Name: (3-azanylpyridin-1-ium-4-yl)-(2-oxidanyl-2-phenyl-ethyl)azanium dichloride Openeye Name: (3-aminopyridin-1-ium-4-yl)-(2-hydroxy-2-phenyl-ethyl)ammonium dichloride CAS Name: (3-amino-4-pyridin-1-iumyl)-(2-hydroxy-2-phenylethyl)ammonium dichloride IUPAC Name: (3-aminopyridin-1-ium-4-yl)-(2-hydroxy-2-phenylethyl)azanium dichloride Traditional Name: (3-aminopyridin-1-ium-4-yl)-(2-hydroxy-2-phenyl-ethyl)ammonium dichloride Formula: C13H17Cl2N3O MolecularWeight: 302.19958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C[NH2+]C2=C(C=[NH+]C=C2)N)O.[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C(C[NH2+]C2=C(C=[NH+]C=C2)N)O.[Cl-].[Cl-]

InChI

InChI=1S/C13H15N3O.2ClH/c14-11-8-15-7-6-12(11)16-9-13(17)10-4-2-1-3-5-10;;/h1-8,13,17H,9,14H2,(H,15,16);2*1H