(E)-3-(2-cyanophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(2-cyanophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide Openeye Name: (E)-3-(2-cyanophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide CAS Name: (E)-3-(2-cyanophenyl)-N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(2-cyanophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide Traditional Name: (E)-3-(2-cyanophenyl)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]acrylamide Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C=CC3=CC=CC=C3C#N

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)/C=C/C3=CC=CC=C3C#N

InChI

InChI=1S/C22H24N4O/c1-2-25-13-15-26(16-14-25)21-10-6-5-9-20(21)24-22(27)12-11-18-7-3-4-8-19(18)17-23/h3-12H,2,13-16H2,1H3,(H,24,27)/p+1/b12-11+