2-[4-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[oxo-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C25H30N5O2S+ MolecularWeight: 464.603

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C25H29N5O2S/c31-23(28-11-5-2-6-12-28)19-27-13-15-29(16-14-27)25(32)21-18-30(20-8-3-1-4-9-20)26-24(21)22-10-7-17-33-22/h1,3-4,7-10,17-18H,2,5-6,11-16,19H2/p+1