1-(diphenylmethyl)-4-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(diphenylmethyl)-4-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperazin-4-ium Openeye Name: 1-benzhydryl-4-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-(diphenylmethyl)-4-[[1-(2-fluorophenyl)-2-pyrrolyl]methyl]piperazin-4-ium IUPAC Name: 1-benzhydryl-4-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperazin-4-ium Traditional Name: 1-benzhydryl-4-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperazin-4-ium Formula: C28H29FN3+ MolecularWeight: 426.548363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CN2C3=CC=CC=C3F)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CN2C3=CC=CC=C3F)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28FN3/c29-26-15-7-8-16-27(26)32-17-9-14-25(32)22-30-18-20-31(21-19-30)28(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-17,28H,18-22H2/p+1