1-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C22H29N6O2+ MolecularWeight: 409.50466

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H28N6O2/c29-20(27-13-15-28(16-14-27)22-23-9-4-10-24-22)17-26-11-7-18(8-12-26)21(30)25-19-5-2-1-3-6-19/h1-6,9-10,18H,7-8,11-17H2,(H,25,30)/p+1