(E)-3-phenyl-2-pyridin-1-ium-1-yl-prop-2-enal hydrochloride

Systemtic Name: (E)-3-phenyl-2-pyridin-1-ium-1-yl-prop-2-enal hydrochloride Openeye Name: (E)-3-phenyl-2-pyridin-1-ium-1-yl-prop-2-enal hydrochloride CAS Name: (E)-3-phenyl-2-(1-pyridin-1-iumyl)-2-propenal hydrochloride IUPAC Name: (E)-3-phenyl-2-pyridin-1-ium-1-ylprop-2-enal hydrochloride Traditional Name: (E)-3-phenyl-2-pyridin-1-ium-1-yl-acrolein hydrochloride Formula: C14H13ClNO+ MolecularWeight: 246.71212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)/C=C(\C=O)/[N+]2=CC=CC=C2.Cl

InChI

InChI=1S/C14H12NO.ClH/c16-12-14(15-9-5-2-6-10-15)11-13-7-3-1-4-8-13;/h1-12H;1H/q+1;/b14-11+;