2-[1,4-dimethyl-4-(3-octyl-2-oxidanylidene-undecyl)piperazine-1,4-diium-1-yl]-N,N-dioctyl-ethanamide

Systemtic Name: 2-[1,4-dimethyl-4-(3-octyl-2-oxidanylidene-undecyl)piperazine-1,4-diium-1-yl]-N,N-dioctyl-ethanamide Openeye Name: 2-[1,4-dimethyl-4-(3-octyl-2-oxo-undecyl)piperazine-1,4-diium-1-yl]-N,N-dioctyl-acetamide CAS Name: 2-[1,4-dimethyl-4-(3-octyl-2-oxoundecyl)-1-piperazine-1,4-diiumyl]-N,N-dioctylacetamide IUPAC Name: 2-[1,4-dimethyl-4-(3-octyl-2-oxoundecyl)piperazine-1,4-diium-1-yl]-N,N-dioctylacetamide Traditional Name: 2-[4-(2-keto-3-octyl-undecyl)-1,4-dimethyl-piperazine-1,4-diium-1-yl]-N,N-dioctyl-acetamide Formula: C43H87N3O2+2 MolecularWeight: 678.16978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H87N3O2/c1-7-11-15-19-23-27-31-41(32-28-24-20-16-12-8-2)42(47)39-45(5)35-37-46(6,38-36-45)40-43(48)44(33-29-25-21-17-13-9-3)34-30-26-22-18-14-10-4/h41H,7-40H2,1-6H3/q+2