N-dodecyl-1-methyl-pyridin-1-ium-4-carboxamide; methanesulfonate

Systemtic Name: N-dodecyl-1-methyl-pyridin-1-ium-4-carboxamide; methanesulfonate Openeye Name: N-dodecyl-1-methyl-pyridin-1-ium-4-carboxamide; methanesulfonate CAS Name: N-dodecyl-1-methyl-4-pyridin-1-iumcarboxamide; methanesulfonate IUPAC Name: N-dodecyl-1-methylpyridin-1-ium-4-carboxamide; methanesulfonate Traditional Name: N-lauryl-1-methyl-pyridin-1-ium-4-carboxamide mesylate Formula: C20H36N2O4S MolecularWeight: 400.57584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H32N2O.CH4O3S/c1-3-4-5-6-7-8-9-10-11-12-15-20-19(22)18-13-16-21(2)17-14-18;1-5(2,3)4/h13-14,16-17H,3-12,15H2,1-2H3;1H3,(H,2,3,4)