benzenesulfonate; 4-methyl-4-(3-phenylprop-2-ynyl)morpholin-4-ium

Systemtic Name: benzenesulfonate; 4-methyl-4-(3-phenylprop-2-ynyl)morpholin-4-ium Openeye Name: benzenesulfonate; 4-methyl-4-(3-phenylprop-2-ynyl)morpholin-4-ium CAS Name: benzenesulfonate; 4-methyl-4-(3-phenylprop-2-ynyl)morpholin-4-ium IUPAC Name: benzenesulfonate; 4-methyl-4-(3-phenylprop-2-ynyl)morpholin-4-ium Traditional Name: 4-methyl-4-(3-phenylprop-2-ynyl)morpholin-4-ium besylate Formula: C20H23NO4S MolecularWeight: 373.46592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CC#CC2=CC=CC=C2.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCOCC1)CC#CC2=CC=CC=C2.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C14H18NO.C6H6O3S/c1-15(10-12-16-13-11-15)9-5-8-14-6-3-2-4-7-14;7-10(8,9)6-4-2-1-3-5-6/h2-4,6-7H,9-13H2,1H3;1-5H,(H,7,8,9)/q+1;/p-1