1-[3-[1-oxidanidyl-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-[1-oxidanidyl-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]phenyl]ethanone Openeye Name: 1-[3-[1-oxido-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]phenyl]ethanone CAS Name: 1-[3-[1-oxido-2-[(E)-prop-1-enyl]-1-imidazol-1-iumyl]phenyl]ethanone IUPAC Name: 1-[3-[1-oxido-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]phenyl]ethanone Traditional Name: 1-[3-[1-oxido-2-[(E)-prop-1-enyl]imidazol-1-ium-1-yl]phenyl]ethanone Formula: C14H14N2O2 MolecularWeight: 242.27316

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=NC=C[N+]1(C2=CC=CC(=C2)C(=O)C)[O-]

Isomeric SMILES

C/C=C/C1=NC=C[N+]1(C2=CC=CC(=C2)C(=O)C)[O-]

InChI

InChI=1S/C14H14N2O2/c1-3-5-14-15-8-9-16(14,18)13-7-4-6-12(10-13)11(2)17/h3-10H,1-2H3/b5-3+