(3E)-3-ethylidene-7-propan-2-yl-2H-1,3-benzoxazol-3-ium

Systemtic Name: (3E)-3-ethylidene-7-propan-2-yl-2H-1,3-benzoxazol-3-ium Openeye Name: (3E)-3-ethylidene-7-isopropyl-2H-1,3-benzoxazol-3-ium CAS Name: (3E)-3-ethylidene-7-propan-2-yl-2H-1,3-benzoxazol-3-ium IUPAC Name: (3E)-3-ethylidene-7-propan-2-yl-2H-1,3-benzoxazol-3-ium Traditional Name: (3E)-3-ethylidene-7-isopropyl-2H-1,3-benzoxazol-3-ium Formula: C12H16NO+ MolecularWeight: 190.26154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16NO/c1-4-13-8-14-12-10(9(2)3)6-5-7-11(12)13/h4-7,9H,8H2,1-3H3/q+1/b13-4-