(2R)-2-phenyl-1-piperidin-1-yl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: (2R)-2-phenyl-1-piperidin-1-yl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: (2R)-2-phenyl-1-(1-piperidyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: (2R)-2-phenyl-1-(1-piperidinyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: (2R)-2-phenyl-1-piperidin-1-yl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: (2R)-2-phenyl-1-piperidino-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethanone Formula: C21H28N5O+ MolecularWeight: 366.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H27N5O/c27-20(25-12-5-2-6-13-25)19(18-8-3-1-4-9-18)24-14-16-26(17-15-24)21-22-10-7-11-23-21/h1,3-4,7-11,19H,2,5-6,12-17H2/p+1/t19-/m1/s1