diethyl-hexyl-(3-phenylpropyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: diethyl-hexyl-(3-phenylpropyl)azanium; 4-methylbenzenesulfonate Openeye Name: diethyl-hexyl-(3-phenylpropyl)ammonium; 4-methylbenzenesulfonate CAS Name: diethyl-hexyl-(3-phenylpropyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: diethyl-hexyl-(3-phenylpropyl)azanium; 4-methylbenzenesulfonate Traditional Name: diethyl-hexyl-(3-phenylpropyl)ammonium tosylate Formula: C26H41NO3S MolecularWeight: 447.67364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[N+](CC)(CC)CCCC1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCC[N+](CC)(CC)CCCC1=CC=CC=C1.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C19H34N.C7H8O3S/c1-4-7-8-12-17-20(5-2,6-3)18-13-16-19-14-10-9-11-15-19;1-6-2-4-7(5-3-6)11(8,9)10/h9-11,14-15H,4-8,12-13,16-18H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1