4-oxidanylidene-3-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]chromen-2-olate

Systemtic Name: 4-oxidanylidene-3-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]chromen-2-olate Openeye Name: 4-oxo-3-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]chromen-2-olate CAS Name: 4-oxo-3-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-1-benzopyran-2-olate IUPAC Name: 4-oxo-3-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]chromen-2-olate Traditional Name: 4-keto-3-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]chromen-2-olate Formula: C18H15NO3 MolecularWeight: 293.3166

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]C(C2=CC=CC=C21)C3=C(OC4=CC=CC=C4C3=O)[O-]

Isomeric SMILES

C1C[NH2+][C@@H](C2=CC=CC=C21)C3=C(OC4=CC=CC=C4C3=O)[O-]

InChI

InChI=1S/C18H15NO3/c20-17-13-7-3-4-8-14(13)22-18(21)15(17)16-12-6-2-1-5-11(12)9-10-19-16/h1-8,16,19,21H,9-10H2/t16-/m0/s1