N-(1-adamantylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C21H31N6O2+ MolecularWeight: 399.50984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C5=NC=CC=N5

InChI

InChI=1S/C21H30N6O2/c28-18(14-26-4-6-27(7-5-26)19-22-2-1-3-23-19)24-20(29)25-21-11-15-8-16(12-21)10-17(9-15)13-21/h1-3,15-17H,4-14H2,(H2,24,25,28,29)/p+1