1-adamantyl 2-pyridin-1-ium-1-ylethanoate chloride

Systemtic Name: 1-adamantyl 2-pyridin-1-ium-1-ylethanoate chloride Openeye Name: 1-adamantyl 2-pyridin-1-ium-1-ylacetate chloride CAS Name: 2-(1-pyridin-1-iumyl)acetic acid 1-adamantyl ester chloride IUPAC Name: 1-adamantyl 2-pyridin-1-ium-1-ylacetate chloride Traditional Name: 2-pyridin-1-ium-1-ylacetic acid 1-adamantyl ester chloride Formula: C17H22ClNO2 MolecularWeight: 307.81508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22NO2.ClH/c19-16(12-18-4-2-1-3-5-18)20-17-9-13-6-14(10-17)8-15(7-13)11-17;/h1-5,13-15H,6-12H2;1H/q+1;/p-1