3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl 2,2,4,4-tetramethylpentanoate

Systemtic Name: 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl 2,2,4,4-tetramethylpentanoate Openeye Name: 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl 2,2,4,4-tetramethylpentanoate CAS Name: 2,2,4,4-tetramethylpentanoic acid 3-(1,4,4-trimethyl-1-piperazine-1,4-diiumyl)propyl ester IUPAC Name: 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl 2,2,4,4-tetramethylpentanoate Traditional Name: 2,2,4,4-tetramethylvaleric acid 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl ester Formula: C19H40N2O2+2 MolecularWeight: 328.5331

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C(=O)OCCC[N+]1(CC[N+](CC1)(C)C)C

Isomeric SMILES

CC(C)(C)CC(C)(C)C(=O)OCCC[N+]1(CC[N+](CC1)(C)C)C

InChI

InChI=1S/C19H40N2O2/c1-18(2,3)16-19(4,5)17(22)23-15-9-10-21(8)13-11-20(6,7)12-14-21/h9-16H2,1-8H3/q+2