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

Systemtic Name: N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-methyl-N-[2-(4-methyl-1-piperazin-4-iumyl)-2-oxoethyl]-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-methyl-N-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-keto-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-N-methyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C23H28N5O2S+ MolecularWeight: 438.56572

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CN(C)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CN(C)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O2S/c1-25-10-12-27(13-11-25)21(29)17-26(2)23(30)19-16-28(15-18-7-4-3-5-8-18)24-22(19)20-9-6-14-31-20/h3-9,14,16H,10-13,15,17H2,1-2H3/p+1