[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridin-1-ium-4-yl]-phenyl-methanone chloride

Systemtic Name: [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridin-1-ium-4-yl]-phenyl-methanone chloride Openeye Name: [1-[(3,5-dimethylisoxazol-4-yl)methyl]pyridin-1-ium-4-yl]-phenyl-methanone chloride CAS Name: [1-[(3,5-dimethyl-4-isoxazolyl)methyl]-4-pyridin-1-iumyl]-phenylmethanone chloride IUPAC Name: [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridin-1-ium-4-yl]-phenylmethanone chloride Traditional Name: [1-[(3,5-dimethylisoxazol-4-yl)methyl]pyridin-1-ium-4-yl]-phenyl-methanone chloride Formula: C18H17ClN2O2 MolecularWeight: 328.79278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=C(C(=NO1)C)C[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C18H17N2O2.ClH/c1-13-17(14(2)22-19-13)12-20-10-8-16(9-11-20)18(21)15-6-4-3-5-7-15;/h3-11H,12H2,1-2H3;1H/q+1;/p-1