(4-ethoxy-3-nitro-phenyl)-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-ethoxy-3-nitro-phenyl)-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-ethoxy-3-nitro-phenyl)-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (4-ethoxy-3-nitrophenyl)-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-ethoxy-3-nitrophenyl)-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-ethoxy-3-nitro-phenyl)-[4-(5-fluoro-2-methoxy-benzyl)piperazin-4-ium-1-yl]methanone Formula: C21H25FN3O5+ MolecularWeight: 418.438703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H24FN3O5/c1-3-30-20-6-4-15(13-18(20)25(27)28)21(26)24-10-8-23(9-11-24)14-16-12-17(22)5-7-19(16)29-2/h4-7,12-13H,3,8-11,14H2,1-2H3/p+1