1-oxidanidyl-N-[4-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-oxidanidyl-N-[4-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-oxido-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]pyridin-1-ium-3-carboxamide CAS Name: 1-oxido-N-[4-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]phenyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-oxido-N-[4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]pyridin-1-ium-3-carboxamide Traditional Name: N-[4-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]phenyl]-1-oxido-pyridin-1-ium-3-carboxamide Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CC3=CC=C(C=C3)NC(=O)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CC3=CC=C(C=C3)NC(=O)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C22H22N6O3/c29-20(26-11-13-27(14-12-26)22-23-8-2-9-24-22)15-17-4-6-19(7-5-17)25-21(30)18-3-1-10-28(31)16-18/h1-10,16H,11-15H2,(H,25,30)