2-[ethyl-(3-methylphenyl)amino]ethyl-trimethyl-azanium sulfate

Systemtic Name: 2-[ethyl-(3-methylphenyl)amino]ethyl-trimethyl-azanium sulfate Openeye Name: 2-(N-ethyl-3-methyl-anilino)ethyl-trimethyl-ammonium sulfate CAS Name: 2-(N-ethyl-3-methylanilino)ethyl-trimethylammonium sulfate IUPAC Name: 2-(N-ethyl-3-methylanilino)ethyl-trimethylazanium sulfate Traditional Name: 2-(N-ethyl-3-methyl-anilino)ethyl-trimethyl-ammonium sulfate Formula: C28H50N4O4S MolecularWeight: 538.786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C14H25N2.H2O4S/c2*1-6-15(10-11-16(3,4)5)14-9-7-8-13(2)12-14;1-5(2,3)4/h2*7-9,12H,6,10-11H2,1-5H3;(H2,1,2,3,4)/q2*+1;/p-2