1-adamantyl 2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoate chloride

Systemtic Name: 1-adamantyl 2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoate chloride Openeye Name: 1-adamantyl 2-(3-carbamoylpyridin-1-ium-1-yl)acetate chloride CAS Name: 2-(3-carbamoyl-1-pyridin-1-iumyl)acetic acid 1-adamantyl ester chloride IUPAC Name: 1-adamantyl 2-(3-carbamoylpyridin-1-ium-1-yl)acetate chloride Traditional Name: 2-(3-carbamoylpyridin-1-ium-1-yl)acetic acid 1-adamantyl ester chloride Formula: C18H23ClN2O3 MolecularWeight: 350.83982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3.ClH/c19-17(22)15-2-1-3-20(10-15)11-16(21)23-18-7-12-4-13(8-18)6-14(5-12)9-18;/h1-3,10,12-14H,4-9,11H2,(H-,19,22);1H