N-[5-(4-hydroxyphenyl)-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,2-oxazol-4-yl]-2-methyl-pyridin-1-ium-1-carboxamide

Systemtic Name: N-[5-(4-hydroxyphenyl)-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,2-oxazol-4-yl]-2-methyl-pyridin-1-ium-1-carboxamide Openeye Name: N-[5-(4-hydroxyphenyl)-3-(4-oxocyclohexa-2,5-dien-1-ylidene)isoxazol-4-yl]-2-methyl-pyridin-1-ium-1-carboxamide CAS Name: N-[5-(4-hydroxyphenyl)-3-(4-oxo-1-cyclohexa-2,5-dienylidene)-4-isoxazolyl]-2-methyl-1-pyridin-1-iumcarboxamide IUPAC Name: N-[5-(4-hydroxyphenyl)-3-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-oxazol-4-yl]-2-methylpyridin-1-ium-1-carboxamide Traditional Name: N-[5-(4-hydroxyphenyl)-3-(4-ketocyclohexa-2,5-dien-1-ylidene)-4-isoxazolin-4-yl]-2-methyl-pyridin-1-ium-1-carboxamide Formula: C22H18N3O4+ MolecularWeight: 388.39602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1C(=O)NC2=C(ONC2=C3C=CC(=O)C=C3)C4=CC=C(C=C4)O

Isomeric SMILES

CC1=CC=CC=[N+]1C(=O)NC2=C(ONC2=C3C=CC(=O)C=C3)C4=CC=C(C=C4)O

InChI

InChI=1S/C22H17N3O4/c1-14-4-2-3-13-25(14)22(28)23-20-19(15-5-9-17(26)10-6-15)24-29-21(20)16-7-11-18(27)12-8-16/h2-13H,1H3,(H2-,23,24,26,27,28)/p+1