5,7-dimethyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one

Systemtic Name: 5,7-dimethyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one Openeye Name: 5,7-dimethyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one CAS Name: 5,7-dimethyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1-benzopyran-2-one IUPAC Name: 5,7-dimethyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one Traditional Name: 5,7-dimethyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)coumarin Formula: C21H22NO2+ MolecularWeight: 320.40488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CCC4=CC=CC=C4C3)C

Isomeric SMILES

CC1=CC(=C2C(=CC(=O)OC2=C1)C[NH+]3CCC4=CC=CC=C4C3)C

InChI

InChI=1S/C21H21NO2/c1-14-9-15(2)21-18(11-20(23)24-19(21)10-14)13-22-8-7-16-5-3-4-6-17(16)12-22/h3-6,9-11H,7-8,12-13H2,1-2H3/p+1