4-[6-[(3-chlorophenyl)methoxy]-4-oxidanidyl-pyrazin-4-ium-2-yl]piperazine-1-carboxylic acid

Systemtic Name: 4-[6-[(3-chlorophenyl)methoxy]-4-oxidanidyl-pyrazin-4-ium-2-yl]piperazine-1-carboxylic acid Openeye Name: 4-[6-[(3-chlorophenyl)methoxy]-4-oxido-pyrazin-4-ium-2-yl]piperazine-1-carboxylic acid CAS Name: 4-[6-[(3-chlorophenyl)methoxy]-4-oxido-2-pyrazin-4-iumyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[6-[(3-chlorophenyl)methoxy]-4-oxidopyrazin-4-ium-2-yl]piperazine-1-carboxylic acid Traditional Name: 4-[6-(3-chlorobenzyl)oxy-4-oxido-pyrazin-4-ium-2-yl]piperazine-1-carboxylic acid Formula: C16H17ClN4O4 MolecularWeight: 364.78358

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C[N+](=CC(=N2)OCC3=CC(=CC=C3)Cl)[O-])C(=O)O

Isomeric SMILES

C1CN(CCN1C2=C[N+](=CC(=N2)OCC3=CC(=CC=C3)Cl)[O-])C(=O)O

InChI

InChI=1S/C16H17ClN4O4/c17-13-3-1-2-12(8-13)11-25-15-10-21(24)9-14(18-15)19-4-6-20(7-5-19)16(22)23/h1-3,8-10H,4-7,11H2,(H,22,23)