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

Systemtic Name: ethyl-dimethyl-(phenylmethyl)azanium; 4-methylbenzenesulfonate Openeye Name: benzyl-ethyl-dimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: ethyl-dimethyl-(phenylmethyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: benzyl-ethyl-dimethylazanium; 4-methylbenzenesulfonate Traditional Name: benzyl-ethyl-dimethyl-ammonium tosylate Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(C)CC1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+](C)(C)CC1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C11H18N.C7H8O3S/c1-4-12(2,3)10-11-8-6-5-7-9-11;1-6-2-4-7(5-3-6)11(8,9)10/h5-9H,4,10H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1