N-(2-methoxy-5-methyl-phenyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoylamino]ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]amino]acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]amino]acetamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2-[[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]amino]acetamide Formula: C20H27N6O3+ MolecularWeight: 399.46678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C20H26N6O3/c1-15-4-5-17(29-2)16(12-15)24-18(27)13-23-19(28)14-25-8-10-26(11-9-25)20-21-6-3-7-22-20/h3-7,12H,8-11,13-14H2,1-2H3,(H,23,28)(H,24,27)/p+1