pyridine-3-carboxylate; trimethyl-[6-(trimethylazaniumyl)hexyl]azanium

Systemtic Name: pyridine-3-carboxylate; trimethyl-[6-(trimethylazaniumyl)hexyl]azanium Openeye Name: pyridine-3-carboxylate; trimethyl-[6-(trimethylammonio)hexyl]ammonium CAS Name: 3-pyridinecarboxylate; trimethyl-[6-(trimethylammonio)hexyl]ammonium IUPAC Name: pyridine-3-carboxylate; trimethyl-[6-(trimethylazaniumyl)hexyl]azanium Traditional Name: nicotinate; trimethyl-[6-(trimethylammonio)hexyl]ammonium Formula: C24H38N4O4 MolecularWeight: 446.58292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H30N2.2C6H5NO2/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;2*8-6(9)5-2-1-3-7-4-5/h7-12H2,1-6H3;2*1-4H,(H,8,9)/q+2;;/p-2