3-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-[4-(2-pyrimidyl)piperazino]propan-1-one Formula: C28H34N5O3+ MolecularWeight: 488.60126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CCC(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CCC(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC=CC=C5)OC

InChI

InChI=1S/C28H33N5O3/c1-35-24-19-22-9-13-32(27(21-7-4-3-5-8-21)23(22)20-25(24)36-2)14-10-26(34)31-15-17-33(18-16-31)28-29-11-6-12-30-28/h3-8,11-12,19-20,27H,9-10,13-18H2,1-2H3/p+1/t27-/m1/s1