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

Systemtic Name: N-(1-adamantylmethyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(1-adamantylmethyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(1-adamantylmethyl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(1-adamantylmethyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(1-adamantylmethyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C22H27N2O+ MolecularWeight: 335.46258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O/c25-21(14-24-6-5-19-3-1-2-4-20(19)13-24)23-15-22-10-16-7-17(11-22)9-18(8-16)12-22/h1-6,13,16-18H,7-12,14-15H2/p+1