4-(diethylamino)-N'-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]benzohydrazide

Systemtic Name: 4-(diethylamino)-N'-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoyl]benzohydrazide Openeye Name: 4-(diethylamino)-N'-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]benzohydrazide CAS Name: 4-(diethylamino)-N'-[1-oxo-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]benzohydrazide IUPAC Name: 4-(diethylamino)-N'-[2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetyl]benzohydrazide Traditional Name: 4-(diethylamino)-N'-[2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetyl]benzohydrazide Formula: C21H30N7O2+ MolecularWeight: 412.5086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N7O2/c1-3-27(4-2)18-8-6-17(7-9-18)20(30)25-24-19(29)16-26-12-14-28(15-13-26)21-22-10-5-11-23-21/h5-11H,3-4,12-16H2,1-2H3,(H,24,29)(H,25,30)/p+1