2-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: 2-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 2-[[2-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 2-[[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C21H29N6O2+ MolecularWeight: 397.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)N

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C21H28N6O2/c1-14(2)21-23-15(3)12-18(25-21)27-10-8-26(9-11-27)13-19(28)24-17-7-5-4-6-16(17)20(22)29/h4-7,12,14H,8-11,13H2,1-3H3,(H2,22,29)(H,24,28)/p+1