N-(2-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)-3-phenyl-propanamide

Systemtic Name: N-(2-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)-3-phenyl-propanamide Openeye Name: N-(2-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)-3-phenyl-propanamide CAS Name: N-(2-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)-3-phenylpropanamide IUPAC Name: N-(2-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)-3-phenylpropanamide Traditional Name: N-(2-ethyl-1,2,3,4-tetrahydropyrazino[1,2-a]benzimidazol-2-ium-8-yl)-3-phenyl-propionamide Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN2C(=NC3=C2C=CC(=C3)NC(=O)CCC4=CC=CC=C4)C1

Isomeric SMILES

CC[NH+]1CCN2C(=NC3=C2C=CC(=C3)NC(=O)CCC4=CC=CC=C4)C1

InChI

InChI=1S/C21H24N4O/c1-2-24-12-13-25-19-10-9-17(14-18(19)23-20(25)15-24)22-21(26)11-8-16-6-4-3-5-7-16/h3-7,9-10,14H,2,8,11-13,15H2,1H3,(H,22,26)/p+1