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

Systemtic Name: (4-methylpiperazin-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-methylpiperazin-4-ium-1-yl)methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methanone IUPAC Name: (1-benzyl-3-thiophen-2-ylpyrazol-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-benzyl-3-(2-thienyl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C20H23N4OS+ MolecularWeight: 367.48782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4OS/c1-22-9-11-23(12-10-22)20(25)17-15-24(14-16-6-3-2-4-7-16)21-19(17)18-8-5-13-26-18/h2-8,13,15H,9-12,14H2,1H3/p+1