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

Systemtic Name: 2-[6-chloranyl-3-[2-(1-oxidanidylpyridin-1-ium-2-yl)ethylamino]-2-oxidanylidene-pyrazin-1-yl]-N-[(1S)-1-(3-chlorophenyl)-2-oxidanyl-ethyl]ethanamide Openeye Name: 2-[6-chloro-3-[2-(1-oxidopyridin-1-ium-2-yl)ethylamino]-2-oxo-pyrazin-1-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxy-ethyl]acetamide CAS Name: 2-[6-chloro-3-[2-(1-oxido-2-pyridin-1-iumyl)ethylamino]-2-oxo-1-pyrazinyl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide IUPAC Name: 2-[6-chloro-3-[2-(1-oxidopyridin-1-ium-2-yl)ethylamino]-2-oxopyrazin-1-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide Traditional Name: 2-[6-chloro-2-keto-3-[2-(1-oxidopyridin-1-ium-2-yl)ethylamino]pyrazin-1-yl]-N-[(1S)-1-(3-chlorophenyl)-2-hydroxy-ethyl]acetamide Formula: C21H21Cl2N5O4 MolecularWeight: 478.32854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)CCNC2=NC=C(N(C2=O)CC(=O)NC(CO)C3=CC(=CC=C3)Cl)Cl)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)CCNC2=NC=C(N(C2=O)CC(=O)N[C@H](CO)C3=CC(=CC=C3)Cl)Cl)[O-]

InChI

InChI=1S/C21H21Cl2N5O4/c22-15-5-3-4-14(10-15)17(13-29)26-19(30)12-27-18(23)11-25-20(21(27)31)24-8-7-16-6-1-2-9-28(16)32/h1-6,9-11,17,29H,7-8,12-13H2,(H,24,25)(H,26,30)/t17-/m1/s1