1-(3-bromophenyl)sulfonyl-4-[(1R)-1-phenylethyl]piperazin-4-ium

Systemtic Name: 1-(3-bromophenyl)sulfonyl-4-[(1R)-1-phenylethyl]piperazin-4-ium Openeye Name: 1-(3-bromophenyl)sulfonyl-4-[(1R)-1-phenylethyl]piperazin-4-ium CAS Name: 1-(3-bromophenyl)sulfonyl-4-[(1R)-1-phenylethyl]piperazin-4-ium IUPAC Name: 1-(3-bromophenyl)sulfonyl-4-[(1R)-1-phenylethyl]piperazin-4-ium Traditional Name: 1-(3-bromophenyl)sulfonyl-4-[(1R)-1-phenylethyl]piperazin-4-ium Formula: C18H22BrN2O2S+ MolecularWeight: 410.34848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C[C@H](C1=CC=CC=C1)[NH+]2CCN(CC2)S(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C18H21BrN2O2S/c1-15(16-6-3-2-4-7-16)20-10-12-21(13-11-20)24(22,23)18-9-5-8-17(19)14-18/h2-9,14-15H,10-13H2,1H3/p+1/t15-/m1/s1