N-[5-(2,3-dihydro-1H-inden-5-yl)-2-phenyl-pyrazol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide

Systemtic Name: N-[5-(2,3-dihydro-1H-inden-5-yl)-2-phenyl-pyrazol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-(5-indan-5-yl-2-phenyl-pyrazol-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-[5-(2,3-dihydro-1H-inden-5-yl)-2-phenyl-3-pyrazolyl]-2-(4-methyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-[5-(2,3-dihydro-1H-inden-5-yl)-2-phenylpyrazol-3-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-(5-indan-5-yl-2-phenyl-pyrazol-3-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Formula: C25H31N5O+2 MolecularWeight: 417.54654

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC5=C(CCC5)C=C4

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4=CC5=C(CCC5)C=C4

InChI

InChI=1S/C25H29N5O/c1-28-12-14-29(15-13-28)18-25(31)26-24-17-23(27-30(24)22-8-3-2-4-9-22)21-11-10-19-6-5-7-20(19)16-21/h2-4,8-11,16-17H,5-7,12-15,18H2,1H3,(H,26,31)/p+2