tritert-butyl 10-methanoyl-10-methyl-1,4,7-triaza-10-azoniacyclododecane-1,4,7-tricarboxylate

Systemtic Name: tritert-butyl 10-methanoyl-10-methyl-1,4,7-triaza-10-azoniacyclododecane-1,4,7-tricarboxylate Openeye Name: tritert-butyl 10-formyl-10-methyl-1,4,7-triaza-10-azoniacyclododecane-1,4,7-tricarboxylate CAS Name: 10-formyl-10-methyl-1,4,7-triaza-10-azoniacyclododecane-1,4,7-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 10-formyl-10-methyl-1,4,7-triaza-10-azoniacyclododecane-1,4,7-tricarboxylate Traditional Name: 10-formyl-10-methyl-1,4,7-triaza-10-azoniacyclododecane-1,4,7-tricarboxylic acid tritert-butyl ester Formula: C25H47N4O7+ MolecularWeight: 515.66328

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC[N+](CCN(CC1)C(=O)OC(C)(C)C)(C)C=O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC[N+](CCN(CC1)C(=O)OC(C)(C)C)(C)C=O)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H47N4O7/c1-23(2,3)34-20(31)26-11-13-27(21(32)35-24(4,5)6)15-17-29(10,19-30)18-16-28(14-12-26)22(33)36-25(7,8)9/h19H,11-18H2,1-10H3/q+1