(2R)-N-(1-adamantyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C21H31N5O/c1-15(25-5-7-26(8-6-25)20-22-3-2-4-23-20)19(27)24-21-12-16-9-17(13-21)11-18(10-16)14-21/h2-4,15-18H,5-14H2,1H3,(H,24,27)/p+1/t15-,16?,17?,18?,21?/m1/s1