N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]naphthalene-1-carboxamide

Systemtic Name: N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]naphthalene-1-carboxamide Openeye Name: N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]naphthalene-1-carboxamide CAS Name: N-[4-[4-[(4-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-1-naphthalenecarboxamide IUPAC Name: N-[4-[4-[(4-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]naphthalene-1-carboxamide Traditional Name: N-[4-[4-(4-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]-1-naphthamide Formula: C28H27FN3O+ MolecularWeight: 440.531883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)F)C3=CC=C(C=C3)NC(=O)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)F)C3=CC=C(C=C3)NC(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H26FN3O/c29-23-10-8-21(9-11-23)20-31-16-18-32(19-17-31)25-14-12-24(13-15-25)30-28(33)27-7-3-5-22-4-1-2-6-26(22)27/h1-15H,16-20H2,(H,30,33)/p+1