2-(3-fluoranylphenoxy)-1-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(3-fluoranylphenoxy)-1-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(3-fluorophenoxy)-1-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(3-fluorophenoxy)-1-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(3-fluorophenoxy)-1-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(3-fluorophenoxy)-1-[4-(2-methoxy-5-methyl-benzyl)piperazin-4-ium-1-yl]ethanone Formula: C21H26FN2O3+ MolecularWeight: 373.441143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)COC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)COC3=CC(=CC=C3)F

InChI

InChI=1S/C21H25FN2O3/c1-16-6-7-20(26-2)17(12-16)14-23-8-10-24(11-9-23)21(25)15-27-19-5-3-4-18(22)13-19/h3-7,12-13H,8-11,14-15H2,1-2H3/p+1