4-(1-bromanylprop-2-ynyl)-4-tetradecyl-morpholin-4-ium; 4-methylbenzenesulfonate

Systemtic Name: 4-(1-bromanylprop-2-ynyl)-4-tetradecyl-morpholin-4-ium; 4-methylbenzenesulfonate Openeye Name: 4-(1-bromoprop-2-ynyl)-4-tetradecyl-morpholin-4-ium; 4-methylbenzenesulfonate CAS Name: 4-(1-bromoprop-2-ynyl)-4-tetradecylmorpholin-4-ium; 4-methylbenzenesulfonate IUPAC Name: 4-(1-bromoprop-2-ynyl)-4-tetradecylmorpholin-4-ium; 4-methylbenzenesulfonate Traditional Name: 4-(1-bromoprop-2-ynyl)-4-myristyl-morpholin-4-ium tosylate Formula: C28H46BrNO4S MolecularWeight: 572.63814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+]1(CCOCC1)C(C#C)Br.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC[N+]1(CCOCC1)C(C#C)Br.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C21H39BrNO.C7H8O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-23(21(22)4-2)17-19-24-20-18-23;1-6-2-4-7(5-3-6)11(8,9)10/h2,21H,3,5-20H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1