5-(furan-2-yl)-2-[(1,2,3,4-tetrahydroisoquinolin-2-ium-1-ylmethylamino)methylidene]cyclohexane-1,3-dione

Systemtic Name: 5-(furan-2-yl)-2-[(1,2,3,4-tetrahydroisoquinolin-2-ium-1-ylmethylamino)methylidene]cyclohexane-1,3-dione Openeye Name: 5-(2-furyl)-2-[(1,2,3,4-tetrahydroisoquinolin-2-ium-1-ylmethylamino)methylene]cyclohexane-1,3-dione CAS Name: 5-(2-furanyl)-2-[(1,2,3,4-tetrahydroisoquinolin-2-ium-1-ylmethylamino)methylidene]cyclohexane-1,3-dione IUPAC Name: 5-(furan-2-yl)-2-[(1,2,3,4-tetrahydroisoquinolin-2-ium-1-ylmethylamino)methylidene]cyclohexane-1,3-dione Traditional Name: 5-(2-furyl)-2-[(1,2,3,4-tetrahydroisoquinolin-2-ium-1-ylmethylamino)methylene]cyclohexane-1,3-quinone Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]C(C2=CC=CC=C21)CNC=C3C(=O)CC(CC3=O)C4=CC=CO4

Isomeric SMILES

C1C[NH2+]C(C2=CC=CC=C21)CNC=C3C(=O)CC(CC3=O)C4=CC=CO4

InChI

InChI=1S/C21H22N2O3/c24-19-10-15(21-6-3-9-26-21)11-20(25)17(19)12-22-13-18-16-5-2-1-4-14(16)7-8-23-18/h1-6,9,12,15,18,22-23H,7-8,10-11,13H2/p+1