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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

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