4-methylbenzenesulfonate; methyl-[3-[2-[oxidanyl(phenyl)methyl]phenoxy]propyl]-dipropyl-azanium

Systemtic Name: 4-methylbenzenesulfonate; methyl-[3-[2-[oxidanyl(phenyl)methyl]phenoxy]propyl]-dipropyl-azanium Openeye Name: 3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl-methyl-dipropyl-ammonium; 4-methylbenzenesulfonate CAS Name: 3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl-methyl-dipropylammonium; 4-methylbenzenesulfonate IUPAC Name: 3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl-methyl-dipropylazanium; 4-methylbenzenesulfonate Traditional Name: 3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl-methyl-dipropyl-ammonium tosylate Formula: C30H41NO5S MolecularWeight: 527.71524

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(CCC)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC[N+](C)(CCC)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C23H34NO2.C7H8O3S/c1-4-16-24(3,17-5-2)18-11-19-26-22-15-10-9-14-21(22)23(25)20-12-7-6-8-13-20;1-6-2-4-7(5-3-6)11(8,9)10/h6-10,12-15,23,25H,4-5,11,16-19H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1