(E)-N-(3-chlorophenyl)-2-cyano-3-(4-ethylpiperazin-4-ium-1-yl)prop-2-enamide

Systemtic Name: (E)-N-(3-chlorophenyl)-2-cyano-3-(4-ethylpiperazin-4-ium-1-yl)prop-2-enamide Openeye Name: (E)-N-(3-chlorophenyl)-2-cyano-3-(4-ethylpiperazin-4-ium-1-yl)prop-2-enamide CAS Name: (E)-N-(3-chlorophenyl)-2-cyano-3-(4-ethyl-1-piperazin-4-iumyl)-2-propenamide IUPAC Name: (E)-N-(3-chlorophenyl)-2-cyano-3-(4-ethylpiperazin-4-ium-1-yl)prop-2-enamide Traditional Name: (E)-N-(3-chlorophenyl)-2-cyano-3-(4-ethylpiperazin-4-ium-1-yl)acrylamide Formula: C16H20ClN4O+ MolecularWeight: 319.8092

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C=C(C#N)C(=O)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)/C=C(\C#N)/C(=O)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H19ClN4O/c1-2-20-6-8-21(9-7-20)12-13(11-18)16(22)19-15-5-3-4-14(17)10-15/h3-5,10,12H,2,6-9H2,1H3,(H,19,22)/p+1/b13-12+