3-[4-(3-phenylprop-2-ynyl)morpholin-4-ium-4-yl]propane-1-sulfonic acid

Systemtic Name: 3-[4-(3-phenylprop-2-ynyl)morpholin-4-ium-4-yl]propane-1-sulfonic acid Openeye Name: 3-[4-(3-phenylprop-2-ynyl)morpholin-4-ium-4-yl]propane-1-sulfonic acid CAS Name: 3-[4-(3-phenylprop-2-ynyl)-4-morpholin-4-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[4-(3-phenylprop-2-ynyl)morpholin-4-ium-4-yl]propane-1-sulfonic acid Traditional Name: 3-[4-(3-phenylprop-2-ynyl)morpholin-4-ium-4-yl]propane-1-sulfonic acid Formula: C16H22NO4S+ MolecularWeight: 324.41518

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[N+]1(CCCS(=O)(=O)O)CC#CC2=CC=CC=C2

Isomeric SMILES

C1COCC[N+]1(CCCS(=O)(=O)O)CC#CC2=CC=CC=C2

InChI

InChI=1S/C16H21NO4S/c18-22(19,20)15-5-10-17(11-13-21-14-12-17)9-4-8-16-6-2-1-3-7-16/h1-3,6-7H,5,9-15H2/p+1