[diethylamino(dipentylazaniumylidene)methyl]-dipentyl-azanium; (4-methylphenyl)methanesulfonate

Systemtic Name: [diethylamino(dipentylazaniumylidene)methyl]-dipentyl-azanium; (4-methylphenyl)methanesulfonate Openeye Name: [diethylamino-(dipentylammonio)methylene]-dipentyl-ammonium; p-tolylmethanesulfonate CAS Name: [diethylamino-(dipentylammonio)methylidene]-dipentylammonium; (4-methylphenyl)methanesulfonate IUPAC Name: [diethylamino(dipentylazaniumylidene)methyl]-dipentylazanium; (4-methylphenyl)methanesulfonate Traditional Name: diamyl-[(diamylammonio)-(diethylamino)methylene]ammonium; p-tolylmethanesulfonate Formula: C33H64N3O3S+ MolecularWeight: 582.94456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH+](CCCCC)C(=[N+](CCCCC)CCCCC)N(CC)CC.CC1=CC=C(C=C1)CS(=O)(=O)[O-]

Isomeric SMILES

CCCCC[NH+](CCCCC)C(=[N+](CCCCC)CCCCC)N(CC)CC.CC1=CC=C(C=C1)CS(=O)(=O)[O-]

InChI

InChI=1S/C25H54N3.C8H10O3S/c1-7-13-17-21-27(22-18-14-8-2)25(26(11-5)12-6)28(23-19-15-9-3)24-20-16-10-4;1-7-2-4-8(5-3-7)6-12(9,10)11/h7-24H2,1-6H3;2-5H,6H2,1H3,(H,9,10,11)/q+1;