3-methyl-3-pentyl-2H-1,3-benzoxazol-3-ium

Systemtic Name: 3-methyl-3-pentyl-2H-1,3-benzoxazol-3-ium Openeye Name: 3-methyl-3-pentyl-2H-1,3-benzoxazol-3-ium CAS Name: 3-methyl-3-pentyl-2H-1,3-benzoxazol-3-ium IUPAC Name: 3-methyl-3-pentyl-2H-1,3-benzoxazol-3-ium Traditional Name: 3-amyl-3-methyl-2H-1,3-benzoxazol-3-ium Formula: C13H20NO+ MolecularWeight: 206.304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1(COC2=CC=CC=C21)C

Isomeric SMILES

CCCCC[N+]1(COC2=CC=CC=C21)C

InChI

InChI=1S/C13H20NO/c1-3-4-7-10-14(2)11-15-13-9-6-5-8-12(13)14/h5-6,8-9H,3-4,7,10-11H2,1-2H3/q+1