1-[(5-fluoranyl-2-methoxy-phenyl)methyl]-4-(2-nitrophenyl)piperazin-1-ium

Systemtic Name: 1-[(5-fluoranyl-2-methoxy-phenyl)methyl]-4-(2-nitrophenyl)piperazin-1-ium Openeye Name: 1-[(5-fluoro-2-methoxy-phenyl)methyl]-4-(2-nitrophenyl)piperazin-1-ium CAS Name: 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(2-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(5-fluoro-2-methoxyphenyl)methyl]-4-(2-nitrophenyl)piperazin-1-ium Traditional Name: 1-(5-fluoro-2-methoxy-benzyl)-4-(2-nitrophenyl)piperazin-1-ium Formula: C18H21FN3O3+ MolecularWeight: 346.376043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H20FN3O3/c1-25-18-7-6-15(19)12-14(18)13-20-8-10-21(11-9-20)16-4-2-3-5-17(16)22(23)24/h2-7,12H,8-11,13H2,1H3/p+1