4-(isoquinolin-2-ium-2-ylmethyl)-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-(isoquinolin-2-ium-2-ylmethyl)-7,8-dimethyl-chromen-2-one Openeye Name: 4-(isoquinolin-2-ium-2-ylmethyl)-7,8-dimethyl-chromen-2-one CAS Name: 4-(2-isoquinolin-2-iumylmethyl)-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-(isoquinolin-2-ium-2-ylmethyl)-7,8-dimethylchromen-2-one Traditional Name: 4-(isoquinolin-2-ium-2-ylmethyl)-7,8-dimethyl-coumarin Formula: C21H18NO2+ MolecularWeight: 316.37312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[N+]3=CC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[N+]3=CC4=CC=CC=C4C=C3)C

InChI

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