2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H28N5O3+ MolecularWeight: 398.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O3/c1-28-18-12-16-4-7-24(14-17(16)13-19(18)29-2)15-20(27)25-8-10-26(11-9-25)21-22-5-3-6-23-21/h3,5-6,12-13H,4,7-11,14-15H2,1-2H3/p+1