5-(diphenylmethyl)oxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one

Systemtic Name: 5-(diphenylmethyl)oxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Openeye Name: 5-benzhydryloxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one CAS Name: 5-(diphenylmethyl)oxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-pyranone IUPAC Name: 5-benzhydryloxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Traditional Name: 5-benzhydryloxy-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyran-4-one Formula: C28H26NO3+ MolecularWeight: 424.51094

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=O)C(=CO3)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H25NO3/c30-26-17-25(19-29-16-15-21-9-7-8-14-24(21)18-29)31-20-27(26)32-28(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-14,17,20,28H,15-16,18-19H2/p+1