4-hexadecyl-4-(3-iodanylprop-2-ynyl)-2,6-dimethyl-morpholin-4-ium; methanesulfonate

Systemtic Name: 4-hexadecyl-4-(3-iodanylprop-2-ynyl)-2,6-dimethyl-morpholin-4-ium; methanesulfonate Openeye Name: 4-hexadecyl-4-(3-iodoprop-2-ynyl)-2,6-dimethyl-morpholin-4-ium; methanesulfonate CAS Name: 4-hexadecyl-4-(3-iodoprop-2-ynyl)-2,6-dimethylmorpholin-4-ium; methanesulfonate IUPAC Name: 4-hexadecyl-4-(3-iodoprop-2-ynyl)-2,6-dimethylmorpholin-4-ium; methanesulfonate Traditional Name: 4-cetyl-4-(3-iodoprop-2-ynyl)-2,6-dimethyl-morpholin-4-ium mesylate Formula: C26H50INO4S MolecularWeight: 599.64897

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(CC(OC(C1)C)C)CC#CI.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(CC(OC(C1)C)C)CC#CI.CS(=O)(=O)[O-]

InChI

InChI=1S/C25H47INO.CH4O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27(21-18-19-26)22-24(2)28-25(3)23-27;1-5(2,3)4/h24-25H,4-17,20-23H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1