LIR

2-[(3S)-3-AMINOPIPERIDIN-1-YL]-1-(2-CYANOBENZYL)-5-METHYL-4,6-DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4-D]IMIDAZOL-1-IUM


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Chemical Component Summary

Name2-[(3S)-3-AMINOPIPERIDIN-1-YL]-1-(2-CYANOBENZYL)-5-METHYL-4,6-DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4-D]IMIDAZOL-1-IUM
Identifiers2-[[2-[(3S)-3-aminopiperidin-1-yl]-5-methyl-4,6-dioxo-3H-pyrrolo[3,4-d]imidazol-1-ium-1-yl]methyl]benzonitrile
FormulaC19 H21 N6 O2
Molecular Weight365.409
TypeNON-POLYMER
Isomeric SMILESCN1C(=O)c2c([n+](c([nH]2)N3CCC[C@@H](C3)N)Cc4ccccc4C#N)C1=O
InChIInChI=1S/C19H20N6O2/c1-23-17(26)15-16(18(23)27)25(10-13-6-3-2-5-12(13)9-20)19(22-15)24-8-4-7-14(21)11-24/h2-3,5-6,14H,4,7-8,10-11,21H2,1H3/p+1/t14-/m0/s1
InChIKeyWVRGIUWTFUXDGX-AWEZNQCLSA-O

Chemical Details

Formal Charge1
Atom Count48
Chiral Atom Count1
Bond Count51
Aromatic Bond Count11

Related Resource References

Resource NameReference
PubChem 49867240, 60206639