1-(4-bromanylnaphthalen-1-yl)sulfonyl-4-(phenylmethyl)piperazin-4-ium

Systemtic Name: 1-(4-bromanylnaphthalen-1-yl)sulfonyl-4-(phenylmethyl)piperazin-4-ium Openeye Name: 1-benzyl-4-[(4-bromo-1-naphthyl)sulfonyl]piperazin-1-ium CAS Name: 1-[(4-bromo-1-naphthalenyl)sulfonyl]-4-(phenylmethyl)piperazin-4-ium IUPAC Name: 1-benzyl-4-(4-bromonaphthalen-1-yl)sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-[(4-bromo-1-naphthyl)sulfonyl]piperazin-1-ium Formula: C21H22BrN2O2S+ MolecularWeight: 446.38058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C4=CC=CC=C43)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C4=CC=CC=C43)Br

InChI

InChI=1S/C21H21BrN2O2S/c22-20-10-11-21(19-9-5-4-8-18(19)20)27(25,26)24-14-12-23(13-15-24)16-17-6-2-1-3-7-17/h1-11H,12-16H2/p+1