N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C22H34N5O+ MolecularWeight: 384.53826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C[NH+]4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)C[NH+]4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C22H33N5O/c1-16(22-12-17-9-18(13-22)11-19(10-17)14-22)25-20(28)15-26-5-7-27(8-6-26)21-23-3-2-4-24-21/h2-4,16-19H,5-15H2,1H3,(H,25,28)/p+1/t16-,17?,18?,19?,22?/m1/s1