8-methoxy-3-(2-pyridin-1-ium-1-ylethanoyl)chromen-2-one chloride

Systemtic Name: 8-methoxy-3-(2-pyridin-1-ium-1-ylethanoyl)chromen-2-one chloride Openeye Name: 8-methoxy-3-(2-pyridin-1-ium-1-ylacetyl)chromen-2-one chloride CAS Name: 8-methoxy-3-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]-1-benzopyran-2-one chloride IUPAC Name: 8-methoxy-3-(2-pyridin-1-ium-1-ylacetyl)chromen-2-one chloride Traditional Name: 8-methoxy-3-(2-pyridin-1-ium-1-ylacetyl)coumarin chloride Formula: C17H14ClNO4 MolecularWeight: 331.75036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)C[N+]3=CC=CC=C3.[Cl-]

Isomeric SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)C[N+]3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C17H14NO4.ClH/c1-21-15-7-5-6-12-10-13(17(20)22-16(12)15)14(19)11-18-8-3-2-4-9-18;/h2-10H,11H2,1H3;1H/q+1;/p-1