N-(2,6-dimethylphenyl)-2-[4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C24H35N7O2+2 MolecularWeight: 453.5804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C24H33N7O2/c1-19-5-3-6-20(2)23(19)27-21(32)17-28-9-13-30(14-10-28)22(33)18-29-11-15-31(16-12-29)24-25-7-4-8-26-24/h3-8H,9-18H2,1-2H3,(H,27,32)/p+2