2-(1-adamantyl)-N-[(E)-(1-methylpyridin-1-ium-3-yl)methylideneamino]ethanamide iodide

Systemtic Name: 2-(1-adamantyl)-N-[(E)-(1-methylpyridin-1-ium-3-yl)methylideneamino]ethanamide iodide Openeye Name: 2-(1-adamantyl)-N-[(E)-(1-methylpyridin-1-ium-3-yl)methyleneamino]acetamide iodide CAS Name: 2-(1-adamantyl)-N-[(E)-(1-methyl-3-pyridin-1-iumyl)methylideneamino]acetamide iodide IUPAC Name: 2-(1-adamantyl)-N-[(E)-(1-methylpyridin-1-ium-3-yl)methylideneamino]acetamide iodide Traditional Name: 2-(1-adamantyl)-N-[(E)-(1-methylpyridin-1-ium-3-yl)methyleneamino]acetamide iodide Formula: C19H26IN3O MolecularWeight: 439.33371

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C=NNC(=O)CC23CC4CC(C2)CC(C4)C3.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)/C=N/NC(=O)CC23CC4CC(C2)CC(C4)C3.[I-]

InChI

InChI=1S/C19H25N3O.HI/c1-22-4-2-3-14(13-22)12-20-21-18(23)11-19-8-15-5-16(9-19)7-17(6-15)10-19;/h2-4,12-13,15-17H,5-11H2,1H3;1H/b20-12+;