1-[(3-phenoxyphenyl)methyl]-4-(phenylsulfonyl)piperazin-1-ium

Systemtic Name: 1-[(3-phenoxyphenyl)methyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-besyl-4-(3-phenoxybenzyl)piperazin-4-ium Formula: C23H25N2O3S+ MolecularWeight: 409.5212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H24N2O3S/c26-29(27,23-12-5-2-6-13-23)25-16-14-24(15-17-25)19-20-8-7-11-22(18-20)28-21-9-3-1-4-10-21/h1-13,18H,14-17,19H2/p+1