1-butyl-5-phenyl-3-piperidin-1-yl-1,2,4-triazin-1-ium iodide

Systemtic Name: 1-butyl-5-phenyl-3-piperidin-1-yl-1,2,4-triazin-1-ium iodide Openeye Name: 1-butyl-5-phenyl-3-(1-piperidyl)-1,2,4-triazin-1-ium iodide CAS Name: 1-butyl-5-phenyl-3-(1-piperidinyl)-1,2,4-triazin-1-ium iodide IUPAC Name: 1-butyl-5-phenyl-3-piperidin-1-yl-1,2,4-triazin-1-ium iodide Traditional Name: 1-butyl-5-phenyl-3-piperidino-1,2,4-triazin-1-ium iodide Formula: C18H25IN4 MolecularWeight: 424.32237

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=NC(=NC(=C1)C2=CC=CC=C2)N3CCCCC3.[I-]

Isomeric SMILES

CCCC[N+]1=NC(=NC(=C1)C2=CC=CC=C2)N3CCCCC3.[I-]

InChI

InChI=1S/C18H25N4.HI/c1-2-3-14-22-15-17(16-10-6-4-7-11-16)19-18(20-22)21-12-8-5-9-13-21;/h4,6-7,10-11,15H,2-3,5,8-9,12-14H2,1H3;1H/q+1;/p-1