2,2-dimethylpropanoate; triheptyl(methyl)azanium

Systemtic Name: 2,2-dimethylpropanoate; triheptyl(methyl)azanium Openeye Name: 2,2-dimethylpropanoate; triheptyl(methyl)ammonium CAS Name: 2,2-dimethylpropanoate; triheptyl(methyl)ammonium IUPAC Name: 2,2-dimethylpropanoate; triheptyl(methyl)azanium Traditional Name: 2,2-dimethylpropionate; triheptyl(methyl)ammonium Formula: C27H57NO2 MolecularWeight: 427.74698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](C)(CCCCCCC)CCCCCCC.CC(C)(C)C(=O)[O-]

Isomeric SMILES

CCCCCCC[N+](C)(CCCCCCC)CCCCCCC.CC(C)(C)C(=O)[O-]

InChI

InChI=1S/C22H48N.C5H10O2/c1-5-8-11-14-17-20-23(4,21-18-15-12-9-6-2)22-19-16-13-10-7-3;1-5(2,3)4(6)7/h5-22H2,1-4H3;1-3H3,(H,6,7)/q+1;/p-1