1-(4-fluoranyl-2-nitro-phenyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-fluoranyl-2-nitro-phenyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium Openeye Name: 1-(4-fluoro-2-nitro-phenyl)-4-(1-naphthylmethyl)piperazin-4-ium CAS Name: 1-(4-fluoro-2-nitrophenyl)-4-(1-naphthalenylmethyl)piperazin-4-ium IUPAC Name: 1-(4-fluoro-2-nitrophenyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium Traditional Name: 1-(4-fluoro-2-nitro-phenyl)-4-(1-naphthylmethyl)piperazin-4-ium Formula: C21H21FN3O2+ MolecularWeight: 366.408743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20FN3O2/c22-18-8-9-20(21(14-18)25(26)27)24-12-10-23(11-13-24)15-17-6-3-5-16-4-1-2-7-19(16)17/h1-9,14H,10-13,15H2/p+1