5-methyl-3-phenyl-N-(pyridin-1-ium-4-ylmethyl)-1,2-oxazole-4-carboxamide

Systemtic Name: 5-methyl-3-phenyl-N-(pyridin-1-ium-4-ylmethyl)-1,2-oxazole-4-carboxamide Openeye Name: 5-methyl-3-phenyl-N-(pyridin-1-ium-4-ylmethyl)isoxazole-4-carboxamide CAS Name: 5-methyl-3-phenyl-N-(4-pyridin-1-iumylmethyl)-4-isoxazolecarboxamide IUPAC Name: 5-methyl-3-phenyl-N-(pyridin-1-ium-4-ylmethyl)-1,2-oxazole-4-carboxamide Traditional Name: 5-methyl-3-phenyl-N-(pyridin-1-ium-4-ylmethyl)isoxazole-4-carboxamide Formula: C17H16N3O2+ MolecularWeight: 294.32784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC3=CC=[NH+]C=C3

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NCC3=CC=[NH+]C=C3

InChI

InChI=1S/C17H15N3O2/c1-12-15(16(20-22-12)14-5-3-2-4-6-14)17(21)19-11-13-7-9-18-10-8-13/h2-10H,11H2,1H3,(H,19,21)/p+1