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

Systemtic Name: (3E)-7-propan-2-yl-3-propylidene-2H-1,3-benzoxazol-3-ium Openeye Name: (3E)-7-isopropyl-3-propylidene-2H-1,3-benzoxazol-3-ium CAS Name: (3E)-7-propan-2-yl-3-propylidene-2H-1,3-benzoxazol-3-ium IUPAC Name: (3E)-7-propan-2-yl-3-propylidene-2H-1,3-benzoxazol-3-ium Traditional Name: (3E)-7-isopropyl-3-propylidene-2H-1,3-benzoxazol-3-ium Formula: C13H18NO+ MolecularWeight: 204.28812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18NO/c1-4-8-14-9-15-13-11(10(2)3)6-5-7-12(13)14/h5-8,10H,4,9H2,1-3H3/q+1/b14-8-