(4-methylpiperazin-4-ium-1-yl)-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methanone Formula: C19H21N4OS+ MolecularWeight: 353.46124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4OS/c1-21-9-11-22(12-10-21)19(24)16-14-23(15-6-3-2-4-7-15)20-18(16)17-8-5-13-25-17/h2-8,13-14H,9-12H2,1H3/p+1