3-[dimethyl-[4-(3-phenylprop-2-enoxy)but-2-ynyl]azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[dimethyl-[4-(3-phenylprop-2-enoxy)but-2-ynyl]azaniumyl]propane-1-sulfonate Openeye Name: 3-[4-cinnamyloxybut-2-ynyl(dimethyl)ammonio]propane-1-sulfonate CAS Name: 3-[dimethyl-[4-(3-phenylprop-2-enoxy)but-2-ynyl]ammonio]-1-propanesulfonate IUPAC Name: 3-[dimethyl-[4-(3-phenylprop-2-enoxy)but-2-ynyl]azaniumyl]propane-1-sulfonate Traditional Name: 3-[4-cinnamyloxybut-2-ynyl(dimethyl)ammonio]propane-1-sulfonate Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCS(=O)(=O)[O-])CC#CCOCC=CC1=CC=CC=C1

Isomeric SMILES

C[N+](C)(CCCS(=O)(=O)[O-])CC#CCOCC=CC1=CC=CC=C1

InChI

InChI=1S/C18H25NO4S/c1-19(2,14-9-17-24(20,21)22)13-6-7-15-23-16-8-12-18-10-4-3-5-11-18/h3-5,8,10-12H,9,13-17H2,1-2H3