2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC=C1C2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1C[NH+](CC=C1C2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H25N5O/c27-20(25-13-15-26(16-14-25)21-22-9-4-10-23-21)17-24-11-7-19(8-12-24)18-5-2-1-3-6-18/h1-7,9-10H,8,11-17H2/p+1