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

Systemtic Name: 4-(3-iodanylprop-2-ynyl)-4-(phenylmethyl)morpholin-4-ium; 4-methylbenzenesulfonate Openeye Name: 4-benzyl-4-(3-iodoprop-2-ynyl)morpholin-4-ium; 4-methylbenzenesulfonate CAS Name: 4-(3-iodoprop-2-ynyl)-4-(phenylmethyl)morpholin-4-ium; 4-methylbenzenesulfonate IUPAC Name: 4-benzyl-4-(3-iodoprop-2-ynyl)morpholin-4-ium; 4-methylbenzenesulfonate Traditional Name: 4-benzyl-4-(3-iodoprop-2-ynyl)morpholin-4-ium tosylate Formula: C21H24INO4S MolecularWeight: 513.38903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1COCC[N+]1(CC#CI)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1COCC[N+]1(CC#CI)CC2=CC=CC=C2

InChI

InChI=1S/C14H17INO.C7H8O3S/c15-7-4-8-16(9-11-17-12-10-16)13-14-5-2-1-3-6-14;1-6-2-4-7(5-3-6)11(8,9)10/h1-3,5-6H,8-13H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1