methanesulfonate; 1-octylpyridin-1-ium-3-carboxamide

Systemtic Name: methanesulfonate; 1-octylpyridin-1-ium-3-carboxamide Openeye Name: methanesulfonate; 1-octylpyridin-1-ium-3-carboxamide CAS Name: methanesulfonate; 1-octyl-3-pyridin-1-iumcarboxamide IUPAC Name: methanesulfonate; 1-octylpyridin-1-ium-3-carboxamide Traditional Name: 1-octylpyridin-1-ium-3-carboxamide mesylate Formula: C15H26N2O4S MolecularWeight: 330.44294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O.CH4O3S/c1-2-3-4-5-6-7-10-16-11-8-9-13(12-16)14(15)17;1-5(2,3)4/h8-9,11-12H,2-7,10H2,1H3,(H-,15,17);1H3,(H,2,3,4)