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

Systemtic Name: (E)-2-cyano-3-(4-ethylpiperazin-4-ium-1-yl)-N-(3-methylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-ethylpiperazin-4-ium-1-yl)-N-(m-tolyl)prop-2-enamide CAS Name: (E)-2-cyano-3-(4-ethyl-1-piperazin-4-iumyl)-N-(3-methylphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-ethylpiperazin-4-ium-1-yl)-N-(3-methylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-ethylpiperazin-4-ium-1-yl)-N-(m-tolyl)acrylamide Formula: C17H23N4O+ MolecularWeight: 299.39072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O/c1-3-20-7-9-21(10-8-20)13-15(12-18)17(22)19-16-6-4-5-14(2)11-16/h4-6,11,13H,3,7-10H2,1-2H3,(H,19,22)/p+1/b15-13+