N-(2-chlorophenyl)-2-[4-[(5-fluoranyl-1H-indol-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-[(5-fluoranyl-1H-indol-2-yl)carbonyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[(5-fluoro-1H-indol-2-yl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-(5-fluoro-1H-indole-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C21H21ClFN4O2+ MolecularWeight: 415.868443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CC4=C(N3)C=CC(=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Cl)C(=O)C3=CC4=C(N3)C=CC(=C4)F

InChI

InChI=1S/C21H20ClFN4O2/c22-16-3-1-2-4-18(16)25-20(28)13-26-7-9-27(10-8-26)21(29)19-12-14-11-15(23)5-6-17(14)24-19/h1-6,11-12,24H,7-10,13H2,(H,25,28)/p+1