2-(1-adamantyl)ethyl 2-pyridin-1-ium-1-ylethanoate chloride

Systemtic Name: 2-(1-adamantyl)ethyl 2-pyridin-1-ium-1-ylethanoate chloride Openeye Name: 2-(1-adamantyl)ethyl 2-pyridin-1-ium-1-ylacetate chloride CAS Name: 2-(1-pyridin-1-iumyl)acetic acid 2-(1-adamantyl)ethyl ester chloride IUPAC Name: 2-(1-adamantyl)ethyl 2-pyridin-1-ium-1-ylacetate chloride Traditional Name: 2-pyridin-1-ium-1-ylacetic acid 2-(1-adamantyl)ethyl ester chloride Formula: C19H26ClNO2 MolecularWeight: 335.86824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CCOC(=O)C[N+]4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CCOC(=O)C[N+]4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C19H26NO2.ClH/c21-18(14-20-5-2-1-3-6-20)22-7-4-19-11-15-8-16(12-19)10-17(9-15)13-19;/h1-3,5-6,15-17H,4,7-14H2;1H/q+1;/p-1