(4-ethylpiperazin-4-ium-1-yl)-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]methanone Openeye Name: [1-benzyl-3-(2-thienyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methanone IUPAC Name: (1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-benzyl-3-(2-thienyl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c1-2-23-10-12-24(13-11-23)21(26)18-16-25(15-17-7-4-3-5-8-17)22-20(18)19-9-6-14-27-19/h3-9,14,16H,2,10-13,15H2,1H3/p+1