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

Systemtic Name: [6-(5-chloranylpyridin-2-yl)-5-oxidanylidene-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methanoyl-4-methyl-piperazin-4-ium-1-carboxylate Openeye Name: [6-(5-chloro-2-pyridyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-formyl-4-methyl-piperazin-4-ium-1-carboxylate CAS Name: 4-formyl-4-methyl-1-piperazin-4-iumcarboxylic acid [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] ester IUPAC Name: [6-(5-chloropyridin-2-yl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-formyl-4-methylpiperazin-4-ium-1-carboxylate Traditional Name: 4-formyl-4-methyl-piperazin-4-ium-1-carboxylic acid [6-(5-chloro-2-pyridyl)-5-keto-7H-pyrrolo[3,4-b]pyrazin-7-yl] ester Formula: C18H18ClN6O4+ MolecularWeight: 417.82632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl)C=O

Isomeric SMILES

C[N+]1(CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl)C=O

InChI

InChI=1S/C18H18ClN6O4/c1-25(11-26)8-6-23(7-9-25)18(28)29-17-15-14(20-4-5-21-15)16(27)24(17)13-3-2-12(19)10-22-13/h2-5,10-11,17H,6-9H2,1H3/q+1