4-(3-iodanylprop-2-ynyl)-4-(phenylmethyl)morpholin-4-ium; methanesulfonate

Systemtic Name: 4-(3-iodanylprop-2-ynyl)-4-(phenylmethyl)morpholin-4-ium; methanesulfonate Openeye Name: 4-benzyl-4-(3-iodoprop-2-ynyl)morpholin-4-ium; methanesulfonate CAS Name: 4-(3-iodoprop-2-ynyl)-4-(phenylmethyl)morpholin-4-ium; methanesulfonate IUPAC Name: 4-benzyl-4-(3-iodoprop-2-ynyl)morpholin-4-ium; methanesulfonate Traditional Name: 4-benzyl-4-(3-iodoprop-2-ynyl)morpholin-4-ium mesylate Formula: C15H20INO4S MolecularWeight: 437.29307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1COCC[N+]1(CC#CI)CC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)[O-].C1COCC[N+]1(CC#CI)CC2=CC=CC=C2

InChI

InChI=1S/C14H17INO.CH4O3S/c15-7-4-8-16(9-11-17-12-10-16)13-14-5-2-1-3-6-14;1-5(2,3)4/h1-3,5-6H,8-13H2;1H3,(H,2,3,4)/q+1;/p-1