3-[2,6-bis(chloranyl)phenyl]-5-methyl-N-(pyridin-1-ium-4-ylmethyl)-1,2-oxazole-4-carboxamide

Systemtic Name: 3-[2,6-bis(chloranyl)phenyl]-5-methyl-N-(pyridin-1-ium-4-ylmethyl)-1,2-oxazole-4-carboxamide Openeye Name: 3-(2,6-dichlorophenyl)-5-methyl-N-(pyridin-1-ium-4-ylmethyl)isoxazole-4-carboxamide CAS Name: 3-(2,6-dichlorophenyl)-5-methyl-N-(4-pyridin-1-iumylmethyl)-4-isoxazolecarboxamide IUPAC Name: 3-(2,6-dichlorophenyl)-5-methyl-N-(pyridin-1-ium-4-ylmethyl)-1,2-oxazole-4-carboxamide Traditional Name: 3-(2,6-dichlorophenyl)-5-methyl-N-(pyridin-1-ium-4-ylmethyl)isoxazole-4-carboxamide Formula: C17H14Cl2N3O2+ MolecularWeight: 363.21796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NCC3=CC=[NH+]C=C3

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NCC3=CC=[NH+]C=C3

InChI

InChI=1S/C17H13Cl2N3O2/c1-10-14(17(23)21-9-11-5-7-20-8-6-11)16(22-24-10)15-12(18)3-2-4-13(15)19/h2-8H,9H2,1H3,(H,21,23)/p+1