1-(2-ethylhexyl)-N,N-dimethyl-pyridin-1-ium-4-amine; methanesulfonate

Systemtic Name: 1-(2-ethylhexyl)-N,N-dimethyl-pyridin-1-ium-4-amine; methanesulfonate Openeye Name: 1-(2-ethylhexyl)-N,N-dimethyl-pyridin-1-ium-4-amine; methanesulfonate CAS Name: 1-(2-ethylhexyl)-N,N-dimethyl-4-pyridin-1-iumamine; methanesulfonate IUPAC Name: 1-(2-ethylhexyl)-N,N-dimethylpyridin-1-ium-4-amine; methanesulfonate Traditional Name: [1-(2-ethylhexyl)pyridin-1-ium-4-yl]-dimethyl-amine mesylate Formula: C16H30N2O3S MolecularWeight: 330.486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C[N+]1=CC=C(C=C1)N(C)C.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCC(CC)C[N+]1=CC=C(C=C1)N(C)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C15H27N2.CH4O3S/c1-5-7-8-14(6-2)13-17-11-9-15(10-12-17)16(3)4;1-5(2,3)4/h9-12,14H,5-8,13H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1