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

Systemtic Name: N-[(1R)-1-phenylbutyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1-phenylbutyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R)-1-phenylbutyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(1R)-1-phenylbutyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-1-phenylbutyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H27N5O/c1-2-7-18(17-8-4-3-5-9-17)23-19(26)16-24-12-14-25(15-13-24)20-21-10-6-11-22-20/h3-6,8-11,18H,2,7,12-16H2,1H3,(H,23,26)/p+1/t18-/m1/s1