N-(5-fluoranyl-2-methyl-phenyl)-4-(9H-fluoren-9-yl)piperazin-4-ium-1-carboxamide

Systemtic Name: N-(5-fluoranyl-2-methyl-phenyl)-4-(9H-fluoren-9-yl)piperazin-4-ium-1-carboxamide Openeye Name: 4-(9H-fluoren-9-yl)-N-(5-fluoro-2-methyl-phenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-(9H-fluoren-9-yl)-N-(5-fluoro-2-methylphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(9H-fluoren-9-yl)-N-(5-fluoro-2-methylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(9H-fluoren-9-yl)-N-(5-fluoro-2-methyl-phenyl)piperazin-4-ium-1-carboxamide Formula: C25H25FN3O+ MolecularWeight: 402.483903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)NC(=O)N2CC[NH+](CC2)C3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CC1=C(C=C(C=C1)F)NC(=O)N2CC[NH+](CC2)C3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C25H24FN3O/c1-17-10-11-18(26)16-23(17)27-25(30)29-14-12-28(13-15-29)24-21-8-4-2-6-19(21)20-7-3-5-9-22(20)24/h2-11,16,24H,12-15H2,1H3,(H,27,30)/p+1