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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C(=C1)OC)O)C[NH+]2CCN(CC2)C3=CC=CC=C3F

Isomeric SMILES

C/C=C/C1=CC(=C(C(=C1)OC)O)C[NH+]2CCN(CC2)C3=CC=CC=C3F

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/h3-8,13-14,25H,9-12,15H2,1-2H3/p+1/b6-3+