3-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-1,3-benzoxazol-2-one Formula: C25H25N2O4+ MolecularWeight: 417.477

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CN3C4=CC=CC=C4OC3=O)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CN3C4=CC=CC=C4OC3=O)C5=CC=CC=C5)OC

InChI

InChI=1S/C25H24N2O4/c1-29-22-14-18-12-13-26(16-27-20-10-6-7-11-21(20)31-25(27)28)24(17-8-4-3-5-9-17)19(18)15-23(22)30-2/h3-11,14-15,24H,12-13,16H2,1-2H3/p+1/t24-/m1/s1