[4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone

Systemtic Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Openeye Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(5-nitrobenzothiophen-2-yl)methanone CAS Name: [4-[bis(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-(5-nitro-1-benzothiophen-2-yl)methanone IUPAC Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(5-nitro-1-benzothiophen-2-yl)methanone Traditional Name: [4-[bis(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(5-nitrobenzothiophen-2-yl)methanone Formula: C26H22F2N3O3S+ MolecularWeight: 494.532986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H21F2N3O3S/c27-20-5-1-17(2-6-20)25(18-3-7-21(28)8-4-18)29-11-13-30(14-12-29)26(32)24-16-19-15-22(31(33)34)9-10-23(19)35-24/h1-10,15-16,25H,11-14H2/p+1