trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibenzoate

Systemtic Name: trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibenzoate Openeye Name: trimethyl-[6-(trimethylammonio)hexyl]ammonium dibenzoate CAS Name: trimethyl-[6-(trimethylammonio)hexyl]ammonium dibenzoate IUPAC Name: trimethyl-[6-(trimethylazaniumyl)hexyl]azanium dibenzoate Traditional Name: trimethyl-[6-(trimethylammonio)hexyl]ammonium dibenzoate Formula: C26H40N2O4 MolecularWeight: 444.6068

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCCCC[N+](C)(C)C.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCCCCC[N+](C)(C)C.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C12H30N2.2C7H6O2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;2*8-7(9)6-4-2-1-3-5-6/h7-12H2,1-6H3;2*1-5H,(H,8,9)/q+2;;/p-2