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

Systemtic Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[(3,5-dimethylisoxazol-4-yl)methyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)methyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[(3,5-dimethylisoxazol-4-yl)methyl]pyridin-1-ium-3-carboxamide chloride Formula: C12H14ClN3O2 MolecularWeight: 267.71146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2.ClH/c1-8-11(9(2)17-14-8)7-15-5-3-4-10(6-15)12(13)16;/h3-6H,7H2,1-2H3,(H-,13,16);1H