1,4-diethyl-1,4-dihexadecyl-piperazine-1,4-diium; ethyl hydrogen sulfate

Systemtic Name: 1,4-diethyl-1,4-dihexadecyl-piperazine-1,4-diium; ethyl hydrogen sulfate Openeye Name: 1,4-diethyl-1,4-dihexadecyl-piperazine-1,4-diium; ethyl hydrogen sulfate CAS Name: 1,4-diethyl-1,4-dihexadecylpiperazine-1,4-diium; sulfuric acid ethyl ester IUPAC Name: 1,4-diethyl-1,4-dihexadecylpiperazine-1,4-diium; ethyl hydrogen sulfate Traditional Name: 1,4-dicetyl-1,4-diethyl-piperazine-1,4-diium; sulfuric acid ethyl ester Formula: C42H90N2O4S+2 MolecularWeight: 719.24

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(CC[N+](CC1)(CC)CCCCCCCCCCCCCCCC)CC.CCOS(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(CC[N+](CC1)(CC)CCCCCCCCCCCCCCCC)CC.CCOS(=O)(=O)O

InChI

InChI=1S/C40H84N2.C2H6O4S/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(7-3)37-39-42(8-4,40-38-41)36-34-32-30-28-26-24-22-20-18-16-14-12-10-6-2;1-2-6-7(3,4)5/h5-40H2,1-4H3;2H2,1H3,(H,3,4,5)/q+2;