4-nitrobenzoate; trimethyl-[6-(trimethylazaniumyl)hexyl]azanium

Systemtic Name: 4-nitrobenzoate; trimethyl-[6-(trimethylazaniumyl)hexyl]azanium Openeye Name: 4-nitrobenzoate; trimethyl-[6-(trimethylammonio)hexyl]ammonium CAS Name: 4-nitrobenzoate; trimethyl-[6-(trimethylammonio)hexyl]ammonium IUPAC Name: 4-nitrobenzoate; trimethyl-[6-(trimethylazaniumyl)hexyl]azanium Traditional Name: 4-nitrobenzoate; trimethyl-[6-(trimethylammonio)hexyl]ammonium Formula: C26H38N4O8 MolecularWeight: 534.60192

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCCCC[N+](C)(C)C.C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-].C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCCCCC[N+](C)(C)C.C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-].C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H30N2.2C7H5NO4/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;2*9-7(10)5-1-3-6(4-2-5)8(11)12/h7-12H2,1-6H3;2*1-4H,(H,9,10)/q+2;;/p-2