[6-(3-bromophenyl)-3-ethyl-hexan-3-yl]-(3-ethylpentyl)-methyl-(3-methyloctyl)azanium; 4-methylbenzenesulfonate

Systemtic Name: [6-(3-bromophenyl)-3-ethyl-hexan-3-yl]-(3-ethylpentyl)-methyl-(3-methyloctyl)azanium; 4-methylbenzenesulfonate Openeye Name: [4-(3-bromophenyl)-1,1-diethyl-butyl]-(3-ethylpentyl)-methyl-(3-methyloctyl)ammonium; 4-methylbenzenesulfonate CAS Name: [6-(3-bromophenyl)-3-ethylhexan-3-yl]-(3-ethylpentyl)-methyl-(3-methyloctyl)ammonium; 4-methylbenzenesulfonate IUPAC Name: [6-(3-bromophenyl)-3-ethylhexan-3-yl]-(3-ethylpentyl)-methyl-(3-methyloctyl)azanium; 4-methylbenzenesulfonate Traditional Name: [4-(3-bromophenyl)-1,1-diethyl-butyl]-(3-ethylpentyl)-methyl-(3-methyloctyl)ammonium tosylate Formula: C38H64BrNO3S MolecularWeight: 694.88866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H57BrN.C7H8O3S/c1-8-13-14-17-27(6)21-24-33(7,25-22-28(9-2)10-3)31(11-4,12-5)23-16-19-29-18-15-20-30(32)26-29;1-6-2-4-7(5-3-6)11(8,9)10/h15,18,20,26-28H,8-14,16-17,19,21-25H2,1-7H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1