methyl 2-[(4Z)-4-[1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]ethanoate

Systemtic Name: methyl 2-[(4Z)-4-[1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene]-5-oxidanylidene-1-phenyl-pyrazol-3-yl]ethanoate Openeye Name: methyl 2-[(4Z)-4-[1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene]-5-oxo-1-phenyl-pyrazol-3-yl]acetate CAS Name: 2-[(4Z)-4-[1-[(4-methyl-1-piperazin-4-iumyl)amino]ethylidene]-5-oxo-1-phenyl-3-pyrazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[(4Z)-4-[1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene]-5-oxo-1-phenylpyrazol-3-yl]acetate Traditional Name: 2-[(4Z)-5-keto-4-[1-[(4-methylpiperazin-4-ium-1-yl)amino]ethylidene]-1-phenyl-2-pyrazolin-3-yl]acetic acid methyl ester Formula: C19H26N5O3+ MolecularWeight: 372.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=NN(C1=O)C2=CC=CC=C2)CC(=O)OC)NN3CC[NH+](CC3)C

Isomeric SMILES

C/C(=C/1\C(=NN(C1=O)C2=CC=CC=C2)CC(=O)OC)/NN3CC[NH+](CC3)C

InChI

InChI=1S/C19H25N5O3/c1-14(20-23-11-9-22(2)10-12-23)18-16(13-17(25)27-3)21-24(19(18)26)15-7-5-4-6-8-15/h4-8,20H,9-13H2,1-3H3/p+1/b18-14-