1-(3-bromanylprop-2-ynyl)-1-tetradecyl-pyrrolidin-1-ium; butane-1-sulfonate

Systemtic Name: 1-(3-bromanylprop-2-ynyl)-1-tetradecyl-pyrrolidin-1-ium; butane-1-sulfonate Openeye Name: 1-(3-bromoprop-2-ynyl)-1-tetradecyl-pyrrolidin-1-ium; butane-1-sulfonate CAS Name: 1-(3-bromoprop-2-ynyl)-1-tetradecylpyrrolidin-1-ium; 1-butanesulfonate IUPAC Name: 1-(3-bromoprop-2-ynyl)-1-tetradecylpyrrolidin-1-ium; butane-1-sulfonate Traditional Name: 1-(3-bromoprop-2-ynyl)-1-myristyl-pyrrolidin-1-ium; butane-1-sulfonate Formula: C25H48BrNO3S MolecularWeight: 522.62252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+]1(CCCC1)CC#CBr.CCCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC[N+]1(CCCC1)CC#CBr.CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C21H39BrN.C4H10O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-23(21-16-17-22)19-14-15-20-23;1-2-3-4-8(5,6)7/h2-15,18-21H2,1H3;2-4H2,1H3,(H,5,6,7)/q+1;/p-1