benzenesulfonate; 4-hexadecyl-4-(3-iodanylprop-2-ynyl)-2,6-dimethyl-morpholin-4-ium

Systemtic Name: benzenesulfonate; 4-hexadecyl-4-(3-iodanylprop-2-ynyl)-2,6-dimethyl-morpholin-4-ium Openeye Name: benzenesulfonate; 4-hexadecyl-4-(3-iodoprop-2-ynyl)-2,6-dimethyl-morpholin-4-ium CAS Name: benzenesulfonate; 4-hexadecyl-4-(3-iodoprop-2-ynyl)-2,6-dimethylmorpholin-4-ium IUPAC Name: benzenesulfonate; 4-hexadecyl-4-(3-iodoprop-2-ynyl)-2,6-dimethylmorpholin-4-ium Traditional Name: 4-cetyl-4-(3-iodoprop-2-ynyl)-2,6-dimethyl-morpholin-4-ium besylate Formula: C31H52INO4S MolecularWeight: 661.71835

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H47INO.C6H6O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27(21-18-19-26)22-24(2)28-25(3)23-27;7-10(8,9)6-4-2-1-3-5-6/h24-25H,4-17,20-23H2,1-3H3;1-5H,(H,7,8,9)/q+1;/p-1