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

Systemtic Name: 3-[4-(3-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)propanamide Openeye Name: 3-[4-(3-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)propanamide CAS Name: 3-[4-[(3-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(2-cyclopentyl-3-pyrazolyl)propanamide IUPAC Name: 3-[4-(3-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)propanamide Traditional Name: 3-[4-(3-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)propionamide Formula: C22H29ClN5O2+ MolecularWeight: 430.95096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN5O2/c23-18-5-3-4-17(16-18)22(30)27-14-12-26(13-15-27)11-9-21(29)25-20-8-10-24-28(20)19-6-1-2-7-19/h3-5,8,10,16,19H,1-2,6-7,9,11-15H2,(H,25,29)/p+1