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

Systemtic Name: 2,5,6-trimethyl-3-(phenylmethyl)-1,3-benzoxazol-3-ium Openeye Name: 3-benzyl-2,5,6-trimethyl-1,3-benzoxazol-3-ium CAS Name: 2,5,6-trimethyl-3-(phenylmethyl)-1,3-benzoxazol-3-ium IUPAC Name: 3-benzyl-2,5,6-trimethyl-1,3-benzoxazol-3-ium Traditional Name: 3-benzyl-2,5,6-trimethyl-1,3-benzoxazol-3-ium Formula: C17H18NO+ MolecularWeight: 252.33092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18NO/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/q+1