8-methyl-7-oxidanyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one

Systemtic Name: 8-methyl-7-oxidanyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one Traditional Name: 7-hydroxy-8-methyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)coumarin Formula: C20H20NO3+ MolecularWeight: 322.3777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCC4=CC=CC=C4C3)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+]3CCC4=CC=CC=C4C3)O

InChI

InChI=1S/C20H19NO3/c1-13-18(22)7-6-17-16(10-19(23)24-20(13)17)12-21-9-8-14-4-2-3-5-15(14)11-21/h2-7,10,22H,8-9,11-12H2,1H3/p+1