N-(4-ethanoylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(4-acetylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-acetylphenyl)-2-[4-(5-propyl-2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-ium-1-yl]acetamide Formula: C21H28N5O2+ MolecularWeight: 382.47932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN=C(N=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCCC1=CN=C(N=C1)N2CC[NH+](CC2)CC(=O)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H27N5O2/c1-3-4-17-13-22-21(23-14-17)26-11-9-25(10-12-26)15-20(28)24-19-7-5-18(6-8-19)16(2)27/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H,24,28)/p+1