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

Systemtic Name: 6-ethyl-4-methyl-7-oxidanyl-8-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one Openeye Name: 6-ethyl-7-hydroxy-4-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one CAS Name: 6-ethyl-7-hydroxy-4-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1-benzopyran-2-one IUPAC Name: 6-ethyl-7-hydroxy-4-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)chromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-methyl-8-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)coumarin Formula: C22H24NO3+ MolecularWeight: 350.43086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO3/c1-3-15-11-18-14(2)10-20(24)26-22(18)19(21(15)25)13-23-9-8-16-6-4-5-7-17(16)12-23/h4-7,10-11,25H,3,8-9,12-13H2,1-2H3/p+1