1-adamantylmethyl 2-pyridin-1-ium-1-ylethanoate chloride

Systemtic Name: 1-adamantylmethyl 2-pyridin-1-ium-1-ylethanoate chloride Openeye Name: 1-adamantylmethyl 2-pyridin-1-ium-1-ylacetate chloride CAS Name: 2-(1-pyridin-1-iumyl)acetic acid 1-adamantylmethyl ester chloride IUPAC Name: 1-adamantylmethyl 2-pyridin-1-ium-1-ylacetate chloride Traditional Name: 2-pyridin-1-ium-1-ylacetic acid 1-adamantylmethyl ester chloride Formula: C18H24ClNO2 MolecularWeight: 321.84166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24NO2.ClH/c20-17(12-19-4-2-1-3-5-19)21-13-18-9-14-6-15(10-18)8-16(7-14)11-18;/h1-5,14-16H,6-13H2;1H/q+1;/p-1