methyl-tri(nonyl)azanium; pentanoate

Systemtic Name: methyl-tri(nonyl)azanium; pentanoate Openeye Name: methyl-tri(nonyl)ammonium; pentanoate CAS Name: methyl-tri(nonyl)ammonium; pentanoate IUPAC Name: methyl-tri(nonyl)azanium; pentanoate Traditional Name: methyl-tri(nonyl)ammonium; valerate Formula: C33H69NO2 MolecularWeight: 511.90646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC[N+](C)(CCCCCCCCC)CCCCCCCCC.CCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCC[N+](C)(CCCCCCCCC)CCCCCCCCC.CCCCC(=O)[O-]

InChI

InChI=1S/C28H60N.C5H10O2/c1-5-8-11-14-17-20-23-26-29(4,27-24-21-18-15-12-9-6-2)28-25-22-19-16-13-10-7-3;1-2-3-4-5(6)7/h5-28H2,1-4H3;2-4H2,1H3,(H,6,7)/q+1;/p-1