[2-methyl-1-(1-methylpiperidin-1-ium-1-yl)butan-2-yl] 2-methylhexanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36NO2/c1-6-8-12-16(3)17(20)21-18(4,7-2)15-19(5)13-10-9-11-14-19/h16H,6-15H2,1-5H3/q+1