1-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]-4-(diphenylmethyl)piperazin-4-ium

Systemtic Name: 1-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]-4-(diphenylmethyl)piperazin-4-ium Openeye Name: 1-benzhydryl-4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-4-(diphenylmethyl)piperazin-4-ium IUPAC Name: 1-benzhydryl-4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-benzhydryl-4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C24H22ClF3N3O2+ MolecularWeight: 476.89859

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21ClF3N3O2/c25-20-16-21(22(31(32)33)15-19(20)24(26,27)28)29-11-13-30(14-12-29)23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,15-16,23H,11-14H2/p+1