(E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]prop-2-enamide

Systemtic Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]prop-2-enamide Openeye Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]prop-2-enamide CAS Name: (E)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-methyl-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-2-propenamide IUPAC Name: (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]prop-2-enamide Traditional Name: (E)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-methyl-acrylamide Formula: C22H30N5O2+ MolecularWeight: 396.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=CC(=O)N(C)CC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=C/C(=O)N(C)CC(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C22H29N5O2/c1-17-20(18(2)27(23-17)19-8-6-5-7-9-19)10-11-21(28)25(4)16-22(29)26-14-12-24(3)13-15-26/h5-11H,12-16H2,1-4H3/p+1/b11-10+