(E)-3-[6-chloranyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)pyridin-1-ium-3-yl]-N-methyl-3-phenyl-prop-2-enamide iodide

Systemtic Name: (E)-3-[6-chloranyl-1-(3,3-dimethyl-2-oxidanylidene-butyl)pyridin-1-ium-3-yl]-N-methyl-3-phenyl-prop-2-enamide iodide Openeye Name: (E)-3-[6-chloro-1-(3,3-dimethyl-2-oxo-butyl)pyridin-1-ium-3-yl]-N-methyl-3-phenyl-prop-2-enamide iodide CAS Name: (E)-3-[6-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-pyridin-1-iumyl]-N-methyl-3-phenyl-2-propenamide iodide IUPAC Name: (E)-3-[6-chloro-1-(3,3-dimethyl-2-oxobutyl)pyridin-1-ium-3-yl]-N-methyl-3-phenylprop-2-enamide iodide Traditional Name: (E)-3-[6-chloro-1-(2-keto-3,3-dimethyl-butyl)pyridin-1-ium-3-yl]-N-methyl-3-phenyl-acrylamide iodide Formula: C21H24ClIN2O2 MolecularWeight: 498.78493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C[N+]1=C(C=CC(=C1)C(=CC(=O)NC)C2=CC=CC=C2)Cl.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O2.HI/c1-21(2,3)18(25)14-24-13-16(10-11-19(24)22)17(12-20(26)23-4)15-8-6-5-7-9-15;/h5-13H,14H2,1-4H3;1H/b17-12+;