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

Systemtic Name: 2-(1-adamantyl)ethyl 2-(3-aminocarbonylpyridin-1-ium-1-yl)ethanoate Openeye Name: 2-(1-adamantyl)ethyl 2-(3-carbamoylpyridin-1-ium-1-yl)acetate CAS Name: 2-(3-carbamoyl-1-pyridin-1-iumyl)acetic acid 2-(1-adamantyl)ethyl ester IUPAC Name: 2-(1-adamantyl)ethyl 2-(3-carbamoylpyridin-1-ium-1-yl)acetate Traditional Name: 2-(3-carbamoylpyridin-1-ium-1-yl)acetic acid 2-(1-adamantyl)ethyl ester Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3/c21-19(24)17-2-1-4-22(12-17)13-18(23)25-5-3-20-9-14-6-15(10-20)8-16(7-14)11-20/h1-2,4,12,14-16H,3,5-11,13H2,(H-,21,24)/p+1