N-(1-adamantyl)-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(1-adamantyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(1-adamantyl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(1-adamantyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(1-adamantyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C21H25N2O+ MolecularWeight: 321.436

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C[N+]4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C[N+]4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C21H24N2O/c24-20(14-23-6-5-18-3-1-2-4-19(18)13-23)22-21-10-15-7-16(11-21)9-17(8-15)12-21/h1-6,13,15-17H,7-12,14H2/p+1