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

Systemtic Name: N-(2-chlorophenyl)-2-[4-(2-pyrrolidin-1-ylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[oxo-[2-(1-pyrrolidinyl)-3-pyridinyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(2-pyrrolidinonicotinoyl)piperazin-1-ium-1-yl]acetamide Formula: C22H27ClN5O2+ MolecularWeight: 428.93508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=N2)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=N2)C(=O)N3CC[NH+](CC3)CC(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C22H26ClN5O2/c23-18-7-1-2-8-19(18)25-20(29)16-26-12-14-28(15-13-26)22(30)17-6-5-9-24-21(17)27-10-3-4-11-27/h1-2,5-9H,3-4,10-16H2,(H,25,29)/p+1