2,5,6-trimethyl-3-(phenylmethyl)-1,3-benzoxazol-3-ium bromide

Systemtic Name: 2,5,6-trimethyl-3-(phenylmethyl)-1,3-benzoxazol-3-ium bromide Openeye Name: 3-benzyl-2,5,6-trimethyl-1,3-benzoxazol-3-ium bromide CAS Name: 2,5,6-trimethyl-3-(phenylmethyl)-1,3-benzoxazol-3-ium bromide IUPAC Name: 3-benzyl-2,5,6-trimethyl-1,3-benzoxazol-3-ium bromide Traditional Name: 3-benzyl-2,5,6-trimethyl-1,3-benzoxazol-3-ium bromide Formula: C17H18BrNO MolecularWeight: 332.23492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=[N+]2CC3=CC=CC=C3)C.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=[N+]2CC3=CC=CC=C3)C.[Br-]

InChI

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