2-[4-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[[1-[(2-chlorophenyl)methyl]-4-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[1-(2-chlorobenzyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C20H27ClN5O2+ MolecularWeight: 404.91368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CN(N=C2)CC3=CC=CC=C3Cl

InChI

InChI=1S/C20H26ClN5O2/c1-15(2)23-19(27)14-24-7-9-25(10-8-24)20(28)17-11-22-26(13-17)12-16-5-3-4-6-18(16)21/h3-6,11,13,15H,7-10,12,14H2,1-2H3,(H,23,27)/p+1