2-[4-(phenylmethyl)piperidin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-(phenylmethyl)piperidin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-(phenylmethyl)-1-piperidin-1-iumyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C22H30N5O+ MolecularWeight: 380.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H29N5O/c28-21(26-13-15-27(16-14-26)22-23-9-4-10-24-22)18-25-11-7-20(8-12-25)17-19-5-2-1-3-6-19/h1-6,9-10,20H,7-8,11-18H2/p+1