methanesulfonate; octyl-[3-(4-propan-2-ylphenyl)propyl]-dipropyl-azanium

Systemtic Name: methanesulfonate; octyl-[3-(4-propan-2-ylphenyl)propyl]-dipropyl-azanium Openeye Name: 3-(4-isopropylphenyl)propyl-octyl-dipropyl-ammonium; methanesulfonate CAS Name: methanesulfonate; octyl-[3-(4-propan-2-ylphenyl)propyl]-dipropylammonium IUPAC Name: methanesulfonate; octyl-[3-(4-propan-2-ylphenyl)propyl]-dipropylazanium Traditional Name: octyl-(3-p-cumenylpropyl)-dipropyl-ammonium mesylate Formula: C27H51NO3S MolecularWeight: 469.76374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](CCC)(CCC)CCCC1=CC=C(C=C1)C(C)C.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC[N+](CCC)(CCC)CCCC1=CC=C(C=C1)C(C)C.CS(=O)(=O)[O-]

InChI

InChI=1S/C26H48N.CH4O3S/c1-6-9-10-11-12-13-22-27(20-7-2,21-8-3)23-14-15-25-16-18-26(19-17-25)24(4)5;1-5(2,3)4/h16-19,24H,6-15,20-23H2,1-5H3;1H3,(H,2,3,4)/q+1;/p-1