ethyl(dimethyl)azanium; (phenylmethyl) 4-methylbenzenesulfonate

Systemtic Name: ethyl(dimethyl)azanium; (phenylmethyl) 4-methylbenzenesulfonate Openeye Name: benzyl 4-methylbenzenesulfonate; ethyl(dimethyl)ammonium CAS Name: ethyl(dimethyl)ammonium; 4-methylbenzenesulfonic acid (phenylmethyl) ester IUPAC Name: benzyl 4-methylbenzenesulfonate; ethyl(dimethyl)azanium Traditional Name: ethyl(dimethyl)ammonium; 4-methylbenzenesulfonic acid benzyl ester Formula: C18H26NO3S+ MolecularWeight: 336.46894

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](C)C.CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC[NH+](C)C.CC1=CC=C(C=C1)S(=O)(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C14H14O3S.C4H11N/c1-12-7-9-14(10-8-12)18(15,16)17-11-13-5-3-2-4-6-13;1-4-5(2)3/h2-10H,11H2,1H3;4H2,1-3H3/p+1