benzenesulfonic acid; 2-cyanoethyl(trimethyl)azanium

Systemtic Name: benzenesulfonic acid; 2-cyanoethyl(trimethyl)azanium Openeye Name: benzenesulfonic acid; 2-cyanoethyl(trimethyl)ammonium CAS Name: benzenesulfonic acid; 2-cyanoethyl(trimethyl)ammonium IUPAC Name: benzenesulfonic acid; 2-cyanoethyl(trimethyl)azanium Traditional Name: besylic acid; 2-cyanoethyl(trimethyl)ammonium Formula: C12H19N2O3S+ MolecularWeight: 271.35586

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCC#N.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C[N+](C)(C)CCC#N.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C6H13N2.C6H6O3S/c1-8(2,3)6-4-5-7;7-10(8,9)6-4-2-1-3-5-6/h4,6H2,1-3H3;1-5H,(H,7,8,9)/q+1;