(3-methylimidazol-3-ium-1-yl)methyl adamantane-1-carboxylate chloride

Systemtic Name: (3-methylimidazol-3-ium-1-yl)methyl adamantane-1-carboxylate chloride Openeye Name: (3-methylimidazol-3-ium-1-yl)methyl adamantane-1-carboxylate chloride CAS Name: 1-adamantanecarboxylic acid (3-methyl-1-imidazol-3-iumyl)methyl ester chloride IUPAC Name: (3-methylimidazol-3-ium-1-yl)methyl adamantane-1-carboxylate chloride Traditional Name: adamantane-1-carboxylic acid (3-methylimidazol-3-ium-1-yl)methyl ester chloride Formula: C16H23ClN2O2 MolecularWeight: 310.81902

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)COC(=O)C23CC4CC(C2)CC(C4)C3.[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)COC(=O)C23CC4CC(C2)CC(C4)C3.[Cl-]

InChI

InChI=1S/C16H23N2O2.ClH/c1-17-2-3-18(10-17)11-20-15(19)16-7-12-4-13(8-16)6-14(5-12)9-16;/h2-3,10,12-14H,4-9,11H2,1H3;1H/q+1;/p-1