3-methyl-3-propyl-2H-1,3-benzoxazol-3-ium iodide

Systemtic Name: 3-methyl-3-propyl-2H-1,3-benzoxazol-3-ium iodide Openeye Name: 3-methyl-3-propyl-2H-1,3-benzoxazol-3-ium iodide CAS Name: 3-methyl-3-propyl-2H-1,3-benzoxazol-3-ium iodide IUPAC Name: 3-methyl-3-propyl-2H-1,3-benzoxazol-3-ium iodide Traditional Name: 3-methyl-3-propyl-2H-1,3-benzoxazol-3-ium iodide Formula: C11H16INO MolecularWeight: 305.15531

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(COC2=CC=CC=C21)C.[I-]

Isomeric SMILES

CCC[N+]1(COC2=CC=CC=C21)C.[I-]

InChI

InChI=1S/C11H16NO.HI/c1-3-8-12(2)9-13-11-7-5-4-6-10(11)12;/h4-7H,3,8-9H2,1-2H3;1H/q+1;/p-1