2-[6-chloranyl-3-[2-(1-oxidanidylpyridin-1-ium-2-yl)ethylamino]-2-oxidanylidene-pyrazin-1-yl]-N-(2-oxidanyl-1-phenyl-ethyl)ethanamide

Systemtic Name: 2-[6-chloranyl-3-[2-(1-oxidanidylpyridin-1-ium-2-yl)ethylamino]-2-oxidanylidene-pyrazin-1-yl]-N-(2-oxidanyl-1-phenyl-ethyl)ethanamide Openeye Name: 2-[6-chloro-3-[2-(1-oxidopyridin-1-ium-2-yl)ethylamino]-2-oxo-pyrazin-1-yl]-N-(2-hydroxy-1-phenyl-ethyl)acetamide CAS Name: 2-[6-chloro-3-[2-(1-oxido-2-pyridin-1-iumyl)ethylamino]-2-oxo-1-pyrazinyl]-N-(2-hydroxy-1-phenylethyl)acetamide IUPAC Name: 2-[6-chloro-3-[2-(1-oxidopyridin-1-ium-2-yl)ethylamino]-2-oxopyrazin-1-yl]-N-(2-hydroxy-1-phenylethyl)acetamide Traditional Name: 2-[6-chloro-2-keto-3-[2-(1-oxidopyridin-1-ium-2-yl)ethylamino]pyrazin-1-yl]-N-(2-hydroxy-1-phenyl-ethyl)acetamide Formula: C21H22ClN5O4 MolecularWeight: 443.88348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CO)NC(=O)CN2C(=CN=C(C2=O)NCCC3=CC=CC=[N+]3[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)C(CO)NC(=O)CN2C(=CN=C(C2=O)NCCC3=CC=CC=[N+]3[O-])Cl

InChI

InChI=1S/C21H22ClN5O4/c22-18-12-24-20(23-10-9-16-8-4-5-11-27(16)31)21(30)26(18)13-19(29)25-17(14-28)15-6-2-1-3-7-15/h1-8,11-12,17,28H,9-10,13-14H2,(H,23,24)(H,25,29)