(E)-N-[3-oxidanylidene-3-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propyl]-3-phenyl-prop-2-enamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CCNC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CCNC(=O)/C=C/C3=CC=CC=C3

InChI

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