6-chloranyl-7-methyl-4-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one Openeye Name: 6-chloro-7-methyl-4-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one CAS Name: 6-chloro-7-methyl-4-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one Traditional Name: 6-chloro-7-methyl-4-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-ylmethyl)coumarin Formula: C20H19ClNO2+ MolecularWeight: 340.82336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[N+]3=CC4=C(CCCC4)C=C3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[N+]3=CC4=C(CCCC4)C=C3)Cl

InChI

InChI=1S/C20H19ClNO2/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/h6-11H,2-5,12H2,1H3/q+1