(4-tert-butylphenyl)methyl-carbamimidoyl-methyl-(3,5,5-trimethylhexyl)azanium hydroiodide

Systemtic Name: (4-tert-butylphenyl)methyl-carbamimidoyl-methyl-(3,5,5-trimethylhexyl)azanium hydroiodide Openeye Name: (4-tert-butylphenyl)methyl-carbamimidoyl-methyl-(3,5,5-trimethylhexyl)ammonium hydroiodide CAS Name: (4-tert-butylphenyl)methyl-carbamimidoyl-methyl-(3,5,5-trimethylhexyl)ammonium hydroiodide IUPAC Name: (4-tert-butylphenyl)methyl-carbamimidoyl-methyl-(3,5,5-trimethylhexyl)azanium hydroiodide Traditional Name: amidino-(4-tert-butylbenzyl)-methyl-(3,5,5-trimethylhexyl)ammonium hydroiodide Formula: C22H41IN3+ MolecularWeight: 474.48551

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC[N+](C)(CC1=CC=C(C=C1)C(C)(C)C)C(=N)N)CC(C)(C)C.I

Isomeric SMILES

CC(CC[N+](C)(CC1=CC=C(C=C1)C(C)(C)C)C(=N)N)CC(C)(C)C.I

InChI

InChI=1S/C22H40N3.HI/c1-17(15-21(2,3)4)13-14-25(8,20(23)24)16-18-9-11-19(12-10-18)22(5,6)7;/h9-12,17H,13-16H2,1-8H3,(H3,23,24);1H/q+1;