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

Systemtic Name: 2-(pyridin-1-ium-3-ylcarbonylamino)ethyl 2-(1-adamantyl)ethanoate chloride Openeye Name: 2-(pyridin-1-ium-3-carbonylamino)ethyl 2-(1-adamantyl)acetate chloride CAS Name: 2-(1-adamantyl)acetic acid 2-[[oxo(3-pyridin-1-iumyl)methyl]amino]ethyl ester chloride IUPAC Name: 2-(pyridin-1-ium-3-carbonylamino)ethyl 2-(1-adamantyl)acetate chloride Traditional Name: 2-(1-adamantyl)acetic acid 2-(pyridin-1-ium-3-carbonylamino)ethyl ester chloride Formula: C20H27ClN2O3 MolecularWeight: 378.89298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O3.ClH/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);1H