2-(pyridin-1-ium-3-ylcarbonylamino)ethyl 2-(1-adamantyl)ethanoate

Systemtic Name: 2-(pyridin-1-ium-3-ylcarbonylamino)ethyl 2-(1-adamantyl)ethanoate Openeye Name: 2-(pyridin-1-ium-3-carbonylamino)ethyl 2-(1-adamantyl)acetate CAS Name: 2-(1-adamantyl)acetic acid 2-[[oxo(3-pyridin-1-iumyl)methyl]amino]ethyl ester IUPAC Name: 2-(pyridin-1-ium-3-carbonylamino)ethyl 2-(1-adamantyl)acetate Traditional Name: 2-(1-adamantyl)acetic acid 2-(pyridin-1-ium-3-carbonylamino)ethyl ester Formula: C20H27N2O3+ MolecularWeight: 343.43998

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CC(=O)OCCNC(=O)C4=C[NH+]=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CC(=O)OCCNC(=O)C4=C[NH+]=CC=C4

InChI

InChI=1S/C20H26N2O3/c23-18(25-5-4-22-19(24)17-2-1-3-21-13-17)12-20-9-14-6-15(10-20)8-16(7-14)11-20/h1-3,13-16H,4-12H2,(H,22,24)/p+1