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

Systemtic Name: N-cyclopentyl-2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-cyclopentyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide CAS Name: N-cyclopentyl-2-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-cyclopentyl-2-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]benzamide Traditional Name: N-cyclopentyl-2-[[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C22H29N6O2+ MolecularWeight: 409.50466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCC(C1)NC(=O)C2=CC=CC=C2NC(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H28N6O2/c29-20(16-27-12-14-28(15-13-27)22-23-10-5-11-24-22)26-19-9-4-3-8-18(19)21(30)25-17-6-1-2-7-17/h3-5,8-11,17H,1-2,6-7,12-16H2,(H,25,30)(H,26,29)/p+1