1-hexadecyl-1-methyl-piperidin-1-ium; propanoate

Systemtic Name: 1-hexadecyl-1-methyl-piperidin-1-ium; propanoate Openeye Name: 1-hexadecyl-1-methyl-piperidin-1-ium; propanoate CAS Name: 1-hexadecyl-1-methylpiperidin-1-ium; propanoate IUPAC Name: 1-hexadecyl-1-methylpiperidin-1-ium; propanoate Traditional Name: 1-cetyl-1-methyl-piperidin-1-ium; propionate Formula: C25H51NO2 MolecularWeight: 397.67794

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(CCCCC1)C.CCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(CCCCC1)C.CCC(=O)[O-]

InChI

InChI=1S/C22H46N.C3H6O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-23(2)21-18-16-19-22-23;1-2-3(4)5/h3-22H2,1-2H3;2H2,1H3,(H,4,5)/q+1;/p-1