7-ethyl-4-(isoquinolin-2-ium-2-ylmethyl)chromen-2-one

Systemtic Name: 7-ethyl-4-(isoquinolin-2-ium-2-ylmethyl)chromen-2-one Openeye Name: 7-ethyl-4-(isoquinolin-2-ium-2-ylmethyl)chromen-2-one CAS Name: 7-ethyl-4-(2-isoquinolin-2-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-(isoquinolin-2-ium-2-ylmethyl)chromen-2-one Traditional Name: 7-ethyl-4-(isoquinolin-2-ium-2-ylmethyl)coumarin Formula: C21H18NO2+ MolecularWeight: 316.37312

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[N+]3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[N+]3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H18NO2/c1-2-15-7-8-19-18(12-21(23)24-20(19)11-15)14-22-10-9-16-5-3-4-6-17(16)13-22/h3-13H,2,14H2,1H3/q+1