2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)ethanamide

Systemtic Name: 2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)ethanamide Openeye Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide CAS Name: 2-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2-cyclopentyl-3-pyrazolyl)acetamide IUPAC Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide Traditional Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide Formula: C21H27ClN5O2+ MolecularWeight: 416.92438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H26ClN5O2/c22-18-8-4-3-7-17(18)21(29)26-13-11-25(12-14-26)15-20(28)24-19-9-10-23-27(19)16-5-1-2-6-16/h3-4,7-10,16H,1-2,5-6,11-15H2,(H,24,28)/p+1