4-methylbenzenesulfonate; trimethyl-[3-(octylamino)-2-oxidanyl-propyl]azanium

Systemtic Name: 4-methylbenzenesulfonate; trimethyl-[3-(octylamino)-2-oxidanyl-propyl]azanium Openeye Name: [2-hydroxy-3-(octylamino)propyl]-trimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: [2-hydroxy-3-(octylamino)propyl]-trimethylammonium; 4-methylbenzenesulfonate IUPAC Name: [2-hydroxy-3-(octylamino)propyl]-trimethylazanium; 4-methylbenzenesulfonate Traditional Name: [2-hydroxy-3-(octylamino)propyl]-trimethyl-ammonium tosylate Formula: C21H40N2O4S MolecularWeight: 416.6183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H33N2O.C7H8O3S/c1-5-6-7-8-9-10-11-15-12-14(17)13-16(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h14-15,17H,5-13H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1