N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxamide

Systemtic Name: N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-2-phenyl-5-thiophen-2-yl-pyrazole-3-carboxamide Openeye Name: N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-2-phenyl-5-(2-thienyl)pyrazole-3-carboxamide CAS Name: N-methyl-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-2-phenyl-5-thiophen-2-yl-3-pyrazolecarboxamide IUPAC Name: N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-2-phenyl-5-thiophen-2-ylpyrazole-3-carboxamide Traditional Name: N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-methyl-2-phenyl-5-(2-thienyl)pyrazole-3-carboxamide Formula: C22H26N5O2S+ MolecularWeight: 424.53914

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN(C)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN(C)C(=O)C2=CC(=NN2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C22H25N5O2S/c1-24-10-12-26(13-11-24)21(28)16-25(2)22(29)19-15-18(20-9-6-14-30-20)23-27(19)17-7-4-3-5-8-17/h3-9,14-15H,10-13,16H2,1-2H3/p+1