N-(4-methylphenyl)-2-[(2R)-3-oxidanylidene-1-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]piperazin-2-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[(2R)-3-oxidanylidene-1-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]piperazin-2-yl]ethanamide Openeye Name: 2-[(2R)-3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]piperazin-2-yl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[(2R)-3-oxo-1-[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]-2-piperazinyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[(2R)-3-oxo-1-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]piperazin-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]piperazin-2-yl]-N-(p-tolyl)acetamide Formula: C23H30N7O3+ MolecularWeight: 452.5294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC2C(=O)NCCN2C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C23H29N7O3/c1-17-3-5-18(6-4-17)27-20(31)15-19-22(33)24-9-10-30(19)21(32)16-28-11-13-29(14-12-28)23-25-7-2-8-26-23/h2-8,19H,9-16H2,1H3,(H,24,33)(H,27,31)/p+1/t19-/m1/s1