1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-ium

Systemtic Name: 1-[(3-fluoranyl-4-methoxy-phenyl)methyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-ium Openeye Name: 1-[(3-fluoro-4-methoxy-phenyl)methyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-ium CAS Name: 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-ium IUPAC Name: 1-[(3-fluoro-4-methoxyphenyl)methyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-ium Traditional Name: 1-(4-fluorobenzyl)sulfonyl-4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium Formula: C19H23F2N2O3S+ MolecularWeight: 397.459326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F)F

InChI

InChI=1S/C19H22F2N2O3S/c1-26-19-7-4-16(12-18(19)21)13-22-8-10-23(11-9-22)27(24,25)14-15-2-5-17(20)6-3-15/h2-7,12H,8-11,13-14H2,1H3/p+1