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

Systemtic Name: 3-(2-chlorophenyl)-5-methyl-N-(pyridin-1-ium-2-ylmethyl)-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chlorophenyl)-5-methyl-N-(pyridin-1-ium-2-ylmethyl)isoxazole-4-carboxamide CAS Name: 3-(2-chlorophenyl)-5-methyl-N-(2-pyridin-1-iumylmethyl)-4-isoxazolecarboxamide IUPAC Name: 3-(2-chlorophenyl)-5-methyl-N-(pyridin-1-ium-2-ylmethyl)-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chlorophenyl)-5-methyl-N-(pyridin-1-ium-2-ylmethyl)isoxazole-4-carboxamide Formula: C17H15ClN3O2+ MolecularWeight: 328.7729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3=CC=CC=[NH+]3

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3=CC=CC=[NH+]3

InChI

InChI=1S/C17H14ClN3O2/c1-11-15(17(22)20-10-12-6-4-5-9-19-12)16(21-23-11)13-7-2-3-8-14(13)18/h2-9H,10H2,1H3,(H,20,22)/p+1