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

Systemtic Name: 7-methoxy-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one Openeye Name: 7-methoxy-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one CAS Name: 7-methoxy-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1-benzopyran-2-one IUPAC Name: 7-methoxy-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one Traditional Name: 7-methoxy-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:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC4=CC=CC=C4C3

InChI

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