3-[1-methyl-6-(1,2,4-oxadiazol-3-yl)pyridin-1-ium-3-yl]-7-phenylmethoxy-chromen-2-one chloride

Systemtic Name: 3-[1-methyl-6-(1,2,4-oxadiazol-3-yl)pyridin-1-ium-3-yl]-7-phenylmethoxy-chromen-2-one chloride Openeye Name: 7-benzyloxy-3-[1-methyl-6-(1,2,4-oxadiazol-3-yl)pyridin-1-ium-3-yl]chromen-2-one chloride CAS Name: 3-[1-methyl-6-(1,2,4-oxadiazol-3-yl)-3-pyridin-1-iumyl]-7-phenylmethoxy-1-benzopyran-2-one chloride IUPAC Name: 3-[1-methyl-6-(1,2,4-oxadiazol-3-yl)pyridin-1-ium-3-yl]-7-phenylmethoxychromen-2-one chloride Traditional Name: 7-benzoxy-3-[1-methyl-6-(1,2,4-oxadiazol-3-yl)pyridin-1-ium-3-yl]coumarin chloride Formula: C24H18ClN3O4 MolecularWeight: 447.87042

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC(=C1)C2=CC3=C(C=C(C=C3)OCC4=CC=CC=C4)OC2=O)C5=NOC=N5.[Cl-]

Isomeric SMILES

C[N+]1=C(C=CC(=C1)C2=CC3=C(C=C(C=C3)OCC4=CC=CC=C4)OC2=O)C5=NOC=N5.[Cl-]

InChI

InChI=1S/C24H18N3O4.ClH/c1-27-13-18(8-10-21(27)23-25-15-30-26-23)20-11-17-7-9-19(12-22(17)31-24(20)28)29-14-16-5-3-2-4-6-16;/h2-13,15H,14H2,1H3;1H/q+1;/p-1