heptyl-[4-(4-methoxyphenyl)butyl]-dimethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: heptyl-[4-(4-methoxyphenyl)butyl]-dimethyl-azanium; 4-methylbenzenesulfonate Openeye Name: heptyl-[4-(4-methoxyphenyl)butyl]-dimethyl-ammonium; 4-methylbenzenesulfonate CAS Name: heptyl-[4-(4-methoxyphenyl)butyl]-dimethylammonium; 4-methylbenzenesulfonate IUPAC Name: heptyl-[4-(4-methoxyphenyl)butyl]-dimethylazanium; 4-methylbenzenesulfonate Traditional Name: heptyl-[4-(4-methoxyphenyl)butyl]-dimethyl-ammonium tosylate Formula: C27H43NO4S MolecularWeight: 477.69962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](C)(C)CCCCC1=CC=C(C=C1)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCC[N+](C)(C)CCCCC1=CC=C(C=C1)OC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H36NO.C7H8O3S/c1-5-6-7-8-10-17-21(2,3)18-11-9-12-19-13-15-20(22-4)16-14-19;1-6-2-4-7(5-3-6)11(8,9)10/h13-16H,5-12,17-18H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1