1-(1-adamantyl)ethyl-trimethyl-azanium benzoate

Systemtic Name: 1-(1-adamantyl)ethyl-trimethyl-azanium benzoate Openeye Name: 1-(1-adamantyl)ethyl-trimethyl-ammonium benzoate CAS Name: 1-(1-adamantyl)ethyl-trimethylammonium benzoate IUPAC Name: 1-(1-adamantyl)ethyl-trimethylazanium benzoate Traditional Name: 1-(1-adamantyl)ethyl-trimethyl-ammonium benzoate Formula: C22H33NO2 MolecularWeight: 343.50292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)[N+](C)(C)C.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)[N+](C)(C)C.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C15H28N.C7H6O2/c1-11(16(2,3)4)15-8-12-5-13(9-15)7-14(6-12)10-15;8-7(9)6-4-2-1-3-5-6/h11-14H,5-10H2,1-4H3;1-5H,(H,8,9)/q+1;/p-1