(E)-3-(5-chloranyl-3-methyl-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-(5-chloranyl-3-methyl-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-(5-chloro-3-methyl-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-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-N-methyl-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-2-propenamide IUPAC Name: (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]prop-2-enamide Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-methyl-acrylamide Formula: C21H27ClN5O2+ MolecularWeight: 416.92438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)N(C)CC(=O)N2CC[NH+](CC2)C)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)N(C)CC(=O)N2CC[NH+](CC2)C)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H26ClN5O2/c1-16-18(21(22)27(23-16)17-7-5-4-6-8-17)9-10-19(28)25(3)15-20(29)26-13-11-24(2)12-14-26/h4-10H,11-15H2,1-3H3/p+1/b10-9+