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

Systemtic Name: 4-azanylbenzoate; trimethyl-[6-(trimethylazaniumyl)hexyl]azanium Openeye Name: 4-aminobenzoate; trimethyl-[6-(trimethylammonio)hexyl]ammonium CAS Name: 4-aminobenzoate; trimethyl-[6-(trimethylammonio)hexyl]ammonium IUPAC Name: 4-aminobenzoate; trimethyl-[6-(trimethylazaniumyl)hexyl]azanium Traditional Name: 4-aminobenzoate; trimethyl-[6-(trimethylammonio)hexyl]ammonium Formula: C26H42N4O4 MolecularWeight: 474.63608

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

Isomeric SMILES

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

InChI

InChI=1S/C12H30N2.2C7H7NO2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;2*8-6-3-1-5(2-4-6)7(9)10/h7-12H2,1-6H3;2*1-4H,8H2,(H,9,10)/q+2;;/p-2