4-(5-phenyl-1-propyl-1,2,4-triazin-1-ium-3-yl)morpholine iodide

Systemtic Name: 4-(5-phenyl-1-propyl-1,2,4-triazin-1-ium-3-yl)morpholine iodide Openeye Name: 4-(5-phenyl-1-propyl-1,2,4-triazin-1-ium-3-yl)morpholine iodide CAS Name: 4-(5-phenyl-1-propyl-1,2,4-triazin-1-ium-3-yl)morpholine iodide IUPAC Name: 4-(5-phenyl-1-propyl-1,2,4-triazin-1-ium-3-yl)morpholine iodide Traditional Name: 4-(5-phenyl-1-propyl-1,2,4-triazin-1-ium-3-yl)morpholine iodide Formula: C16H21IN4O MolecularWeight: 412.26861

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=NC(=NC(=C1)C2=CC=CC=C2)N3CCOCC3.[I-]

Isomeric SMILES

CCC[N+]1=NC(=NC(=C1)C2=CC=CC=C2)N3CCOCC3.[I-]

InChI

InChI=1S/C16H21N4O.HI/c1-2-8-20-13-15(14-6-4-3-5-7-14)17-16(18-20)19-9-11-21-12-10-19;/h3-7,13H,2,8-12H2,1H3;1H/q+1;/p-1