1-(1-adamantyl)ethyl-trimethyl-azanium; 4,4,5-trimethylcyclopentane-1,3-dicarboxylate

Systemtic Name: 1-(1-adamantyl)ethyl-trimethyl-azanium; 4,4,5-trimethylcyclopentane-1,3-dicarboxylate Openeye Name: 1-(1-adamantyl)ethyl-trimethyl-ammonium; 4,4,5-trimethylcyclopentane-1,3-dicarboxylate CAS Name: 1-(1-adamantyl)ethyl-trimethylammonium; 4,4,5-trimethylcyclopentane-1,3-dicarboxylate IUPAC Name: 1-(1-adamantyl)ethyl-trimethylazanium; 4,4,5-trimethylcyclopentane-1,3-dicarboxylate Traditional Name: 1-(1-adamantyl)ethyl-trimethyl-ammonium; 4,4,5-trimethylcyclopentane-1,3-dicarboxylate Formula: C40H70N2O4 MolecularWeight: 642.9948

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(C1(C)C)C(=O)[O-])C(=O)[O-].CC(C12CC3CC(C1)CC(C3)C2)[N+](C)(C)C.CC(C12CC3CC(C1)CC(C3)C2)[N+](C)(C)C

Isomeric SMILES

CC1C(CC(C1(C)C)C(=O)[O-])C(=O)[O-].CC(C12CC3CC(C1)CC(C3)C2)[N+](C)(C)C.CC(C12CC3CC(C1)CC(C3)C2)[N+](C)(C)C

InChI

InChI=1S/2C15H28N.C10H16O4/c2*1-11(16(2,3)4)15-8-12-5-13(9-15)7-14(6-12)10-15;1-5-6(8(11)12)4-7(9(13)14)10(5,2)3/h2*11-14H,5-10H2,1-4H3;5-7H,4H2,1-3H3,(H,11,12)(H,13,14)/q2*+1;/p-2