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4-(2-cyanoethoxy)but-2-ynyl-dimethyl-(3-sulfopropyl)azanium

4-(2-cyanoethoxy)but-2-ynyl-dimethyl-(3-sulfopropyl)azanium

Systemtic Name:4-(2-cyanoethoxy)but-2-ynyl-dimethyl-(3-sulfopropyl)azanium
Openeye Name:4-(2-cyanoethoxy)but-2-ynyl-dimethyl-(3-sulfopropyl)ammonium
CAS Name:4-(2-cyanoethoxy)but-2-ynyl-dimethyl-(3-sulfopropyl)ammonium
IUPAC Name:4-(2-cyanoethoxy)but-2-ynyl-dimethyl-(3-sulfopropyl)azanium
Traditional Name:4-(2-cyanoethoxy)but-2-ynyl-dimethyl-(3-sulfopropyl)ammonium
Formula: C12H21N2O4S+
MolecularWeight: 289.37114
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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCS(=O)(=O)O)CC#CCOCCC#N


Isomeric SMILES

C[N+](C)(CCCS(=O)(=O)O)CC#CCOCCC#N


InChI

InChI=1S/C12H20N2O4S/c1-14(2,9-6-12-19(15,16)17)8-3-4-10-18-11-5-7-13/h5-6,8-12H2,1-2H3/p+1


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