1-(naphthalen-1-ylmethyl)-4-(phenylsulfonyl)piperazin-1-ium

Systemtic Name: 1-(naphthalen-1-ylmethyl)-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-(1-naphthylmethyl)piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-(1-naphthalenylmethyl)piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-(naphthalen-1-ylmethyl)piperazin-4-ium Traditional Name: 1-besyl-4-(1-naphthylmethyl)piperazin-4-ium Formula: C21H23N2O2S+ MolecularWeight: 367.48452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2S/c24-26(25,20-10-2-1-3-11-20)23-15-13-22(14-16-23)17-19-9-6-8-18-7-4-5-12-21(18)19/h1-12H,13-17H2/p+1