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

Systemtic Name: 2-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-carboxamide Openeye Name: 2-(3-pyridylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-carboxamide CAS Name: 2-(3-pyridinylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-carboxamide IUPAC Name: 2-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-carboxamide Traditional Name: 2-(3-pyridylmethyl)-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-carboxamide Formula: C17H18N5O+ MolecularWeight: 308.35772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(=NC3=C2C=CC(=C3)C(=O)N)C[NH+]1CC4=CN=CC=C4

Isomeric SMILES

C1CN2C(=NC3=C2C=CC(=C3)C(=O)N)C[NH+]1CC4=CN=CC=C4

InChI

InChI=1S/C17H17N5O/c18-17(23)13-3-4-15-14(8-13)20-16-11-21(6-7-22(15)16)10-12-2-1-5-19-9-12/h1-5,8-9H,6-7,10-11H2,(H2,18,23)/p+1