2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-prop-2-enyl-phenol

Systemtic Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-prop-2-enyl-phenol Openeye Name: 4-allyl-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-6-methoxy-4-prop-2-enylphenol IUPAC Name: 2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-4-prop-2-enylphenol Traditional Name: 4-allyl-2-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol Formula: C21H26FN2O2+ MolecularWeight: 357.441743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)C[NH+]2CCN(CC2)C3=CC=CC=C3F)CC=C

Isomeric SMILES

COC1=CC(=CC(=C1O)C[NH+]2CCN(CC2)C3=CC=CC=C3F)CC=C

InChI

InChI=1S/C21H25FN2O2/c1-3-6-16-13-17(21(25)20(14-16)26-2)15-23-9-11-24(12-10-23)19-8-5-4-7-18(19)22/h3-5,7-8,13-14,25H,1,6,9-12,15H2,2H3/p+1