6-ethyl-7-oxidanyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one

Systemtic Name: 6-ethyl-7-oxidanyl-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)coumarin Formula: C21H22NO3+ MolecularWeight: 336.40428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCC4=CC=CC=C4C3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCC4=CC=CC=C4C3)O

InChI

InChI=1S/C21H21NO3/c1-2-14-9-18-17(10-21(24)25-20(18)11-19(14)23)13-22-8-7-15-5-3-4-6-16(15)12-22/h3-6,9-11,23H,2,7-8,12-13H2,1H3/p+1