2-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4,5-dimethyl-phenol

Systemtic Name: 2-[[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4,5-dimethyl-phenol Openeye Name: 2-[[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4,5-dimethyl-phenol CAS Name: 2-[[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-4,5-dimethylphenol IUPAC Name: 2-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-4,5-dimethylphenol Traditional Name: 2-[[4-(5-fluoro-2-methoxy-benzyl)piperazine-1,4-diium-1-yl]methyl]-4,5-dimethyl-phenol Formula: C21H29FN2O2+2 MolecularWeight: 360.465563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)O)C[NH+]2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC

Isomeric SMILES

CC1=CC(=C(C=C1C)O)C[NH+]2CC[NH+](CC2)CC3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C21H27FN2O2/c1-15-10-17(20(25)11-16(15)2)13-23-6-8-24(9-7-23)14-18-12-19(22)4-5-21(18)26-3/h4-5,10-12,25H,6-9,13-14H2,1-3H3/p+2