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

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 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 CAS Name: (E)-3-[6-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-pyridin-1-iumyl]-N-methyl-3-phenyl-2-propenamide IUPAC Name: (E)-3-[6-chloro-1-(3,3-dimethyl-2-oxobutyl)pyridin-1-ium-3-yl]-N-methyl-3-phenylprop-2-enamide Traditional Name: (E)-3-[6-chloro-1-(2-keto-3,3-dimethyl-butyl)pyridin-1-ium-3-yl]-N-methyl-3-phenyl-acrylamide Formula: C21H24ClN2O2+ MolecularWeight: 371.88046

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O2/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/p+1/b17-12+