2-(furan-2-ylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-carboxamide

Systemtic Name: 2-(furan-2-ylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-carboxamide Openeye Name: 2-(2-furylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-carboxamide CAS Name: 2-(2-furanylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-carboxamide IUPAC Name: 2-(furan-2-ylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-carboxamide Traditional Name: 2-(2-furfuryl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-carboxamide Formula: C16H17N4O2+ MolecularWeight: 297.33178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(=NC3=C2C=CC(=C3)C(=O)N)C[NH+]1CC4=CC=CO4

Isomeric SMILES

C1CN2C(=NC3=C2C=CC(=C3)C(=O)N)C[NH+]1CC4=CC=CO4

InChI

InChI=1S/C16H16N4O2/c17-16(21)11-3-4-14-13(8-11)18-15-10-19(5-6-20(14)15)9-12-2-1-7-22-12/h1-4,7-8H,5-6,9-10H2,(H2,17,21)/p+1