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

Systemtic Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-fluoranyl-4-methoxy-phenyl)methanone Openeye Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-fluoro-4-methoxy-phenyl)methanone CAS Name: [4-[(2,5-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-(3-fluoro-4-methoxyphenyl)methanone IUPAC Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-(3-fluoro-4-methoxyphenyl)methanone Traditional Name: [4-(2,5-dimethoxybenzyl)piperazin-4-ium-1-yl]-(3-fluoro-4-methoxy-phenyl)methanone Formula: C21H26FN2O4+ MolecularWeight: 389.440543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(=O)C3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H25FN2O4/c1-26-17-5-7-19(27-2)16(12-17)14-23-8-10-24(11-9-23)21(25)15-4-6-20(28-3)18(22)13-15/h4-7,12-13H,8-11,14H2,1-3H3/p+1