2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)ethanamide

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1-piperazin-1-iumyl]-N-(2-cyclopentyl-3-pyrazolyl)acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide Traditional Name: 2-[4-(4-cyanobenzyl)piperazin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide Formula: C22H29N6O+ MolecularWeight: 393.50526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H28N6O/c23-15-18-5-7-19(8-6-18)16-26-11-13-27(14-12-26)17-22(29)25-21-9-10-24-28(21)20-3-1-2-4-20/h5-10,20H,1-4,11-14,16-17H2,(H,25,29)/p+1