decyl-dimethyl-(7-methyloctyl)azanium; hexanoate

Systemtic Name: decyl-dimethyl-(7-methyloctyl)azanium; hexanoate Openeye Name: decyl-dimethyl-(7-methyloctyl)ammonium; hexanoate CAS Name: decyl-dimethyl-(7-methyloctyl)ammonium; hexanoate IUPAC Name: decyl-dimethyl-(7-methyloctyl)azanium; hexanoate Traditional Name: decyl-dimethyl-(7-methyloctyl)ammonium; hexanoate Formula: C27H57NO2 MolecularWeight: 427.74698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H46N.C6H12O2/c1-6-7-8-9-10-11-13-16-19-22(4,5)20-17-14-12-15-18-21(2)3;1-2-3-4-5-6(7)8/h21H,6-20H2,1-5H3;2-5H2,1H3,(H,7,8)/q+1;/p-1