(4-methylphenyl)methanesulfonate; triethyl-(N,N,N'-triethylcarbamimidoyl)azanium

Systemtic Name: (4-methylphenyl)methanesulfonate; triethyl-(N,N,N'-triethylcarbamimidoyl)azanium Openeye Name: p-tolylmethanesulfonate; triethyl-(N,N,N'-triethylcarbamimidoyl)ammonium CAS Name: [diethylamino(ethylimino)methyl]-triethylammonium; (4-methylphenyl)methanesulfonate IUPAC Name: (4-methylphenyl)methanesulfonate; triethyl-(N,N,N'-triethylcarbamimidoyl)azanium Traditional Name: p-tolylmethanesulfonate; triethyl-(N,N,N'-triethylamidino)ammonium Formula: C21H39N3O3S MolecularWeight: 413.61766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H30N3.C8H10O3S/c1-7-14-13(15(8-2)9-3)16(10-4,11-5)12-6;1-7-2-4-8(5-3-7)6-12(9,10)11/h7-12H2,1-6H3;2-5H,6H2,1H3,(H,9,10,11)/q+1;/p-1