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

Systemtic Name: 1-(3-fluorophenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(3-fluorophenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(3-fluorophenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(3-fluorophenyl)sulfonyl-4-[(3-methoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(3-fluorophenyl)sulfonyl-4-m-anisyl-piperazin-4-ium Formula: C18H22FN2O3S+ MolecularWeight: 365.442283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21FN2O3S/c1-24-17-6-2-4-15(12-17)14-20-8-10-21(11-9-20)25(22,23)18-7-3-5-16(19)13-18/h2-7,12-13H,8-11,14H2,1H3/p+1