3-[[4-[(R)-(4-fluorophenyl)-phenyl-methyl]piperazin-1-ium-1-yl]methyl]-1H-indole

Systemtic Name: 3-[[4-[(R)-(4-fluorophenyl)-phenyl-methyl]piperazin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[(R)-(4-fluorophenyl)-phenyl-methyl]piperazin-1-ium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-[(R)-(4-fluorophenyl)-phenylmethyl]-1-piperazin-1-iumyl]methyl]-1H-indole IUPAC Name: 3-[[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 3-[[4-[(R)-(4-fluorophenyl)-phenyl-methyl]piperazin-1-ium-1-yl]methyl]-1H-indole Formula: C26H27FN3+ MolecularWeight: 400.511083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)C(C4=CC=CC=C4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)[C@H](C4=CC=CC=C4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H26FN3/c27-23-12-10-21(11-13-23)26(20-6-2-1-3-7-20)30-16-14-29(15-17-30)19-22-18-28-25-9-5-4-8-24(22)25/h1-13,18,26,28H,14-17,19H2/p+1/t26-/m1/s1