3-(1-methylpiperidin-1-ium-1-yl)propyl 2-ethyl-2-methyl-hexanoate

Systemtic Name: 3-(1-methylpiperidin-1-ium-1-yl)propyl 2-ethyl-2-methyl-hexanoate Openeye Name: 3-(1-methylpiperidin-1-ium-1-yl)propyl 2-ethyl-2-methyl-hexanoate CAS Name: 2-ethyl-2-methylhexanoic acid 3-(1-methyl-1-piperidin-1-iumyl)propyl ester IUPAC Name: 3-(1-methylpiperidin-1-ium-1-yl)propyl 2-ethyl-2-methylhexanoate Traditional Name: 2-ethyl-2-methyl-hexanoic acid 3-(1-methylpiperidin-1-ium-1-yl)propyl ester Formula: C18H36NO2+ MolecularWeight: 298.48394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CC)C(=O)OCCC[N+]1(CCCCC1)C

Isomeric SMILES

CCCCC(C)(CC)C(=O)OCCC[N+]1(CCCCC1)C

InChI

InChI=1S/C18H36NO2/c1-5-7-12-18(3,6-2)17(20)21-16-11-15-19(4)13-9-8-10-14-19/h5-16H2,1-4H3/q+1