(E)-2-cyano-3-(4-methylpiperazin-4-ium-1-yl)-N-phenethyl-prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(4-methylpiperazin-4-ium-1-yl)-N-phenethyl-prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-methylpiperazin-4-ium-1-yl)-N-phenethyl-prop-2-enamide CAS Name: (E)-2-cyano-3-(4-methyl-1-piperazin-4-iumyl)-N-phenethyl-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-methylpiperazin-4-ium-1-yl)-N-phenethylprop-2-enamide Traditional Name: (E)-2-cyano-3-(4-methylpiperazin-4-ium-1-yl)-N-phenethyl-acrylamide Formula: C17H23N4O+ MolecularWeight: 299.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C=C(C#N)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

C[NH+]1CCN(CC1)/C=C(\C#N)/C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C17H22N4O/c1-20-9-11-21(12-10-20)14-16(13-18)17(22)19-8-7-15-5-3-2-4-6-15/h2-6,14H,7-12H2,1H3,(H,19,22)/p+1/b16-14+