N-(2-chlorophenyl)-2-[4-(1H-indazol-4-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-(1H-indazol-4-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(1H-indazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[1H-indazol-4-yl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(1H-indazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(1H-indazole-4-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C20H21ClN5O2+ MolecularWeight: 398.86604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=C4C=NNC4=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=C4C=NNC4=CC=C3

InChI

InChI=1S/C20H20ClN5O2/c21-16-5-1-2-6-18(16)23-19(27)13-25-8-10-26(11-9-25)20(28)14-4-3-7-17-15(14)12-22-24-17/h1-7,12H,8-11,13H2,(H,22,24)(H,23,27)/p+1