N-(1-cyanocyclopentyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(1-cyanocyclopentyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(1-cyanocyclopentyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(1-cyanocyclopentyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(1-cyanocyclopentyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(1-cyanocyclopentyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C17H22N3O+ MolecularWeight: 284.37608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H21N3O/c18-13-17(8-3-4-9-17)19-16(21)12-20-10-7-14-5-1-2-6-15(14)11-20/h1-2,5-6H,3-4,7-12H2,(H,19,21)/p+1