(E)-N-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[2-keto-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]-3-phenyl-acrylamide Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CNC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CNC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2/c26-20(7-6-18-4-2-1-3-5-18)23-16-21(27)25-14-12-24(13-15-25)17-19-8-10-22-11-9-19/h1-11H,12-17H2,(H,23,26)/p+1/b7-6+