3-(4-fluorophenyl)sulfonyl-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(4-fluorophenyl)sulfonyl-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(4-fluorophenyl)sulfonyl-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(4-fluorophenyl)sulfonyl-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(4-fluorophenyl)sulfonyl-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(4-fluorophenyl)sulfonyl-1-(4-p-anisylpiperazin-4-ium-1-yl)propan-1-one Formula: C21H26FN2O4S+ MolecularWeight: 421.505543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O4S/c1-28-19-6-2-17(3-7-19)16-23-11-13-24(14-12-23)21(25)10-15-29(26,27)20-8-4-18(22)5-9-20/h2-9H,10-16H2,1H3/p+1