N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-oxidanyl-phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-oxidanyl-phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-hydroxy-phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-hydroxyphenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-hydroxyphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[4-(5,6-dimethyl-1,3-benzoxazol-3-ium-2-yl)-3-hydroxy-phenyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C24H21N2O5+ MolecularWeight: 417.43394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=[NH+]2)C3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCCO5)O

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=[NH+]2)C3=C(C=C(C=C3)NC(=O)C4=CC5=C(C=C4)OCCO5)O

InChI

InChI=1S/C24H20N2O5/c1-13-9-18-21(10-14(13)2)31-24(26-18)17-5-4-16(12-19(17)27)25-23(28)15-3-6-20-22(11-15)30-8-7-29-20/h3-6,9-12,27H,7-8H2,1-2H3,(H,25,28)/p+1