3-(1-methylpiperidin-1-ium-1-yl)propyl 2,2,4,4-tetramethylpentanoate

Systemtic Name: 3-(1-methylpiperidin-1-ium-1-yl)propyl 2,2,4,4-tetramethylpentanoate Openeye Name: 3-(1-methylpiperidin-1-ium-1-yl)propyl 2,2,4,4-tetramethylpentanoate CAS Name: 2,2,4,4-tetramethylpentanoic acid 3-(1-methyl-1-piperidin-1-iumyl)propyl ester IUPAC Name: 3-(1-methylpiperidin-1-ium-1-yl)propyl 2,2,4,4-tetramethylpentanoate Traditional Name: 2,2,4,4-tetramethylvaleric 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:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H36NO2/c1-17(2,3)15-18(4,5)16(20)21-14-10-13-19(6)11-8-7-9-12-19/h7-15H2,1-6H3/q+1