1-[(E)-2-phenylethenyl]pyridin-1-ium bromide hydrate

Systemtic Name: 1-[(E)-2-phenylethenyl]pyridin-1-ium bromide hydrate Openeye Name: 1-[(E)-styryl]pyridin-1-ium bromide hydrate CAS Name: 1-[(E)-2-phenylethenyl]pyridin-1-ium bromide hydrate IUPAC Name: 1-[(E)-2-phenylethenyl]pyridin-1-ium bromide hydrate Traditional Name: 1-[(E)-styryl]pyridin-1-ium bromide hydrate Formula: C13H14BrNO MolecularWeight: 280.16036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C[N+]2=CC=CC=C2.O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)/C=C/[N+]2=CC=CC=C2.O.[Br-]

InChI

InChI=1S/C13H12N.BrH.H2O/c1-3-7-13(8-4-1)9-12-14-10-5-2-6-11-14;;/h1-12H;1H;1H2/q+1;;/p-1/b12-9+;;