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

Systemtic Name: N-(1-adamantylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(1-adamantylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(1-adamantylmethyl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(1-adamantylmethyl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C21H32N5O+ MolecularWeight: 370.51168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC23CC4CC(C2)CC(C4)C3)C5=NC=CC=N5

InChI

InChI=1S/C21H31N5O/c27-19(14-25-4-6-26(7-5-25)20-22-2-1-3-23-20)24-15-21-11-16-8-17(12-21)10-18(9-16)13-21/h1-3,16-18H,4-15H2,(H,24,27)/p+1