[(7S)-6-(5-chloranylpyridin-2-yl)-5-oxidanylidene-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazin-4-ium-1-carboxylate

Systemtic Name: [(7S)-6-(5-chloranylpyridin-2-yl)-5-oxidanylidene-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazin-4-ium-1-carboxylate Openeye Name: [(7S)-6-(5-chloro-2-pyridyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazin-4-ium-1-carboxylate CAS Name: 1-piperazin-4-iumcarboxylic acid [(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] ester IUPAC Name: [(7S)-6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazin-4-ium-1-carboxylate Traditional Name: piperazin-4-ium-1-carboxylic acid [(7S)-6-(5-chloro-2-pyridyl)-5-keto-7H-pyrrolo[3,4-b]pyrazin-7-yl] ester Formula: C16H16ClN6O3+ MolecularWeight: 375.78964

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)O[C@H]2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl

InChI

InChI=1S/C16H15ClN6O3/c17-10-1-2-11(21-9-10)23-14(24)12-13(20-4-3-19-12)15(23)26-16(25)22-7-5-18-6-8-22/h1-4,9,15,18H,5-8H2/p+1/t15-/m0/s1