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

Systemtic Name: 1-adamantylmethyl 2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoate chloride Openeye Name: 1-adamantylmethyl 2-(3-carbamoylpyridin-1-ium-1-yl)acetate chloride CAS Name: 2-(3-carbamoyl-1-pyridin-1-iumyl)acetic acid 1-adamantylmethyl ester chloride IUPAC Name: 1-adamantylmethyl 2-(3-carbamoylpyridin-1-ium-1-yl)acetate chloride Traditional Name: 2-(3-carbamoylpyridin-1-ium-1-yl)acetic acid 1-adamantylmethyl ester chloride Formula: C19H25ClN2O3 MolecularWeight: 364.8664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O3.ClH/c20-18(23)16-2-1-3-21(10-16)11-17(22)24-12-19-7-13-4-14(8-19)6-15(5-13)9-19;/h1-3,10,13-15H,4-9,11-12H2,(H-,20,23);1H