[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(6-fluoranyl-4H-1,3-benzodioxin-8-yl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(6-fluoro-4H-1,3-benzodioxin-8-yl)methanone Formula: C26H26FN2O3+ MolecularWeight: 433.494643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC(=CC5=C4OCOC5)F

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC(=CC5=C4OCOC5)F

InChI

InChI=1S/C26H25FN2O3/c27-22-15-21-17-31-18-32-25(21)23(16-22)26(30)29-13-11-28(12-14-29)24(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,15-16,24H,11-14,17-18H2/p+1