1-(4-fluorophenyl)-4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-fluorophenyl)-4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione Openeye Name: 1-(4-fluorophenyl)-4-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione CAS Name: 1-(4-fluorophenyl)-4-[4-(1-naphthalenylmethyl)-1-piperazin-4-iumyl]butane-1,4-dione IUPAC Name: 1-(4-fluorophenyl)-4-[4-(naphthalen-1-ylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione Traditional Name: 1-(4-fluorophenyl)-4-[4-(1-naphthylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione Formula: C25H26FN2O2+ MolecularWeight: 405.484543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)C(=O)CCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN2O2/c26-22-10-8-20(9-11-22)24(29)12-13-25(30)28-16-14-27(15-17-28)18-21-6-3-5-19-4-1-2-7-23(19)21/h1-11H,12-18H2/p+1