1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanone

Systemtic Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanone Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanone CAS Name: 1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanone IUPAC Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanone Traditional Name: 1-[4-(2-pyrimidyl)piperazino]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanone Formula: C19H24N5O+ MolecularWeight: 338.42676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H23N5O/c25-18(15-22-9-6-16-4-1-2-5-17(16)14-22)23-10-12-24(13-11-23)19-20-7-3-8-21-19/h1-5,7-8H,6,9-15H2/p+1