ethyl 5-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[2-(4-methylpiperazin-1-ium-1-yl)ethanoylamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[[2-(4-methyl-1-piperazin-1-iumyl)-1-oxoethyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[[2-(4-methylpiperazin-1-ium-1-yl)acetyl]amino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C19H26N5O3+ MolecularWeight: 372.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C[NH+]3CCN(CC3)C

InChI

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