[2-[(N,N'-ditert-butylcarbamimidoyl)amino]phenyl]methyl-triethyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: [2-[(N,N'-ditert-butylcarbamimidoyl)amino]phenyl]methyl-triethyl-azanium; 4-methylbenzenesulfonate Openeye Name: [2-[(N,N'-ditert-butylcarbamimidoyl)amino]phenyl]methyl-triethyl-ammonium; 4-methylbenzenesulfonate CAS Name: [2-[[(tert-butylamino)-tert-butyliminomethyl]amino]phenyl]methyl-triethylammonium; 4-methylbenzenesulfonate IUPAC Name: [2-[(N,N'-ditert-butylcarbamimidoyl)amino]phenyl]methyl-triethylazanium; 4-methylbenzenesulfonate Traditional Name: [2-[(N,N'-ditert-butylamidino)amino]benzyl]-triethyl-ammonium tosylate Formula: C29H48N4O3S MolecularWeight: 532.78142

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC1=CC=CC=C1NC(=NC(C)(C)C)NC(C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+](CC)(CC)CC1=CC=CC=C1NC(=NC(C)(C)C)NC(C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C22H41N4.C7H8O3S/c1-10-26(11-2,12-3)17-18-15-13-14-16-19(18)23-20(24-21(4,5)6)25-22(7,8)9;1-6-2-4-7(5-3-6)11(8,9)10/h13-16H,10-12,17H2,1-9H3,(H2,23,24,25);2-5H,1H3,(H,8,9,10)/q+1;/p-1