1-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]ethyl-trimethyl-azanium iodide

Systemtic Name: 1-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]ethyl-trimethyl-azanium iodide Openeye Name: 1-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]ethyl-trimethyl-ammonium iodide CAS Name: 1-[[4-(4-azepanyl)-2-pyrimidinyl]amino]ethyl-trimethylammonium iodide IUPAC Name: 1-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]ethyl-trimethylazanium iodide Traditional Name: 1-[[4-(azepan-4-yl)pyrimidin-2-yl]amino]ethyl-trimethyl-ammonium iodide Formula: C15H28IN5 MolecularWeight: 405.32079

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(NC1=NC=CC(=N1)C2CCCNCC2)[N+](C)(C)C.[I-]

Isomeric SMILES

CC(NC1=NC=CC(=N1)C2CCCNCC2)[N+](C)(C)C.[I-]

InChI

InChI=1S/C15H28N5.HI/c1-12(20(2,3)4)18-15-17-11-8-14(19-15)13-6-5-9-16-10-7-13;/h8,11-13,16H,5-7,9-10H2,1-4H3,(H,17,18,19);1H/q+1;/p-1