2-methyl-5-phenyl-3-propyl-1,3-benzoxazol-3-ium iodide

Systemtic Name: 2-methyl-5-phenyl-3-propyl-1,3-benzoxazol-3-ium iodide Openeye Name: 2-methyl-5-phenyl-3-propyl-1,3-benzoxazol-3-ium iodide CAS Name: 2-methyl-5-phenyl-3-propyl-1,3-benzoxazol-3-ium iodide IUPAC Name: 2-methyl-5-phenyl-3-propyl-1,3-benzoxazol-3-ium iodide Traditional Name: 2-methyl-5-phenyl-3-propyl-1,3-benzoxazol-3-ium iodide Formula: C17H18INO MolecularWeight: 379.23539

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(OC2=C1C=C(C=C2)C3=CC=CC=C3)C.[I-]

Isomeric SMILES

CCC[N+]1=C(OC2=C1C=C(C=C2)C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C17H18NO.HI/c1-3-11-18-13(2)19-17-10-9-15(12-16(17)18)14-7-5-4-6-8-14;/h4-10,12H,3,11H2,1-2H3;1H/q+1;/p-1