2,6-bis(oxidanylidene)-3-phenethyl-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-olate

Systemtic Name: 2,6-bis(oxidanylidene)-3-phenethyl-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-olate Openeye Name: 2,6-dioxo-3-phenethyl-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-olate CAS Name: 2,6-dioxo-3-phenethyl-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]-4-pyrimidinolate IUPAC Name: 2,6-dioxo-3-phenethyl-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-olate Traditional Name: 2,6-diketo-3-phenethyl-5-[(1R)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-olate Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]C(C2=CC=CC=C21)C3=C(N(C(=O)NC3=O)CCC4=CC=CC=C4)[O-]

Isomeric SMILES

C1C[NH2+][C@H](C2=CC=CC=C21)C3=C(N(C(=O)NC3=O)CCC4=CC=CC=C4)[O-]

InChI

InChI=1S/C21H21N3O3/c25-19-17(18-16-9-5-4-8-15(16)10-12-22-18)20(26)24(21(27)23-19)13-11-14-6-2-1-3-7-14/h1-9,18,22,26H,10-13H2,(H,23,25,27)/t18-/m1/s1