benzenesulfonate; decyl 2-[4-(3-iodanylprop-2-ynyl)morpholin-4-ium-4-yl]ethanoate

Systemtic Name: benzenesulfonate; decyl 2-[4-(3-iodanylprop-2-ynyl)morpholin-4-ium-4-yl]ethanoate Openeye Name: benzenesulfonate; decyl 2-[4-(3-iodoprop-2-ynyl)morpholin-4-ium-4-yl]acetate CAS Name: benzenesulfonate; 2-[4-(3-iodoprop-2-ynyl)-4-morpholin-4-iumyl]acetic acid decyl ester IUPAC Name: benzenesulfonate; decyl 2-[4-(3-iodoprop-2-ynyl)morpholin-4-ium-4-yl]acetate Traditional Name: 2-[4-(3-iodoprop-2-ynyl)morpholin-4-ium-4-yl]acetic acid decyl ester besylate Formula: C25H38INO6S MolecularWeight: 607.54179

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C[N+]1(CCOCC1)CC#CI.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCOC(=O)C[N+]1(CCOCC1)CC#CI.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C19H33INO3.C6H6O3S/c1-2-3-4-5-6-7-8-9-15-24-19(22)18-21(12-10-11-20)13-16-23-17-14-21;7-10(8,9)6-4-2-1-3-5-6/h2-9,12-18H2,1H3;1-5H,(H,7,8,9)/q+1;/p-1