ethyl-dimethyl-[(4-propan-2-ylphenyl)methyl]azanium; 4-methylbenzenesulfonate

Systemtic Name: ethyl-dimethyl-[(4-propan-2-ylphenyl)methyl]azanium; 4-methylbenzenesulfonate Openeye Name: ethyl-[(4-isopropylphenyl)methyl]-dimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: ethyl-dimethyl-[(4-propan-2-ylphenyl)methyl]ammonium; 4-methylbenzenesulfonate IUPAC Name: ethyl-dimethyl-[(4-propan-2-ylphenyl)methyl]azanium; 4-methylbenzenesulfonate Traditional Name: ethyl-(4-isopropylbenzyl)-dimethyl-ammonium tosylate Formula: C21H31NO3S MolecularWeight: 377.54074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N.C7H8O3S/c1-6-15(4,5)11-13-7-9-14(10-8-13)12(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h7-10,12H,6,11H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1