3-[4-[4-(3-ethoxy-3-oxidanylidene-propoxy)but-2-ynyl]morpholin-4-ium-4-yl]propane-1-sulfonate

Systemtic Name: 3-[4-[4-(3-ethoxy-3-oxidanylidene-propoxy)but-2-ynyl]morpholin-4-ium-4-yl]propane-1-sulfonate Openeye Name: 3-[4-[4-(3-ethoxy-3-oxo-propoxy)but-2-ynyl]morpholin-4-ium-4-yl]propane-1-sulfonate CAS Name: 3-[4-[4-(3-ethoxy-3-oxopropoxy)but-2-ynyl]-4-morpholin-4-iumyl]-1-propanesulfonate IUPAC Name: 3-[4-[4-(3-ethoxy-3-oxopropoxy)but-2-ynyl]morpholin-4-ium-4-yl]propane-1-sulfonate Traditional Name: 3-[4-[4-(3-ethoxy-3-keto-propoxy)but-2-ynyl]morpholin-4-ium-4-yl]propane-1-sulfonate Formula: C16H27NO7S MolecularWeight: 377.45308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCOCC#CC[N+]1(CCOCC1)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)CCOCC#CC[N+]1(CCOCC1)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C16H27NO7S/c1-2-24-16(18)6-12-22-11-4-3-7-17(9-13-23-14-10-17)8-5-15-25(19,20)21/h2,5-15H2,1H3