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

Systemtic Name: 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl 2,2-dimethylpentanoate Openeye Name: 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl 2,2-dimethylpentanoate CAS Name: 2,2-dimethylpentanoic 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-dimethylpentanoate Traditional Name: 2,2-dimethylvaleric acid 3-(1,4,4-trimethylpiperazine-1,4-diium-1-yl)propyl ester Formula: C17H36N2O2+2 MolecularWeight: 300.47994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H36N2O2/c1-7-9-17(2,3)16(20)21-15-8-10-19(6)13-11-18(4,5)12-14-19/h7-15H2,1-6H3/q+2