2-[(4R)-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(4R)-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(4R)-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4R)-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4R)-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4R)-4-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C25H28N5O+ MolecularWeight: 414.52272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C[NH+]3CC(C4=CC=CC=C4C3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C[NH+]3C[C@@H](C4=CC=CC=C4C3)C5=CC=CC=C5

InChI

InChI=1S/C25H27N5O/c31-24(29-13-15-30(16-14-29)25-26-11-6-12-27-25)19-28-17-21-9-4-5-10-22(21)23(18-28)20-7-2-1-3-8-20/h1-12,23H,13-19H2/p+1/t23-/m1/s1