6-chloranyl-4-(isoquinolin-2-ium-2-ylmethyl)-7-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-(isoquinolin-2-ium-2-ylmethyl)-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-(isoquinolin-2-ium-2-ylmethyl)-7-methyl-chromen-2-one CAS Name: 6-chloro-4-(2-isoquinolin-2-iumylmethyl)-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-(isoquinolin-2-ium-2-ylmethyl)-7-methylchromen-2-one Traditional Name: 6-chloro-4-(isoquinolin-2-ium-2-ylmethyl)-7-methyl-coumarin Formula: C20H15ClNO2+ MolecularWeight: 336.7916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[N+]3=CC4=CC=CC=C4C=C3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[N+]3=CC4=CC=CC=C4C=C3)Cl

InChI

InChI=1S/C20H15ClNO2/c1-13-8-19-17(10-18(13)21)16(9-20(23)24-19)12-22-7-6-14-4-2-3-5-15(14)11-22/h2-11H,12H2,1H3/q+1