N-(4-ethoxyphenyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide

Systemtic Name: N-(4-ethoxyphenyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide CAS Name: N-(4-ethoxyphenyl)-2-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-p-phenetyl-2-[[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C25H29N6O3+ MolecularWeight: 461.53616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C25H28N6O3/c1-2-34-20-10-8-19(9-11-20)28-24(33)21-6-3-4-7-22(21)29-23(32)18-30-14-16-31(17-15-30)25-26-12-5-13-27-25/h3-13H,2,14-18H2,1H3,(H,28,33)(H,29,32)/p+1