1-(2,5-dimethylphenyl)sulfonyl-4-[(1R)-1-phenylethyl]piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(1R)-1-phenylethyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(1R)-1-phenylethyl]piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(1R)-1-phenylethyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(1R)-1-phenylethyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)sulfonyl-4-[(1R)-1-phenylethyl]piperazin-4-ium Formula: C20H27N2O2S+ MolecularWeight: 359.50558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)C(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C20H26N2O2S/c1-16-9-10-17(2)20(15-16)25(23,24)22-13-11-21(12-14-22)18(3)19-7-5-4-6-8-19/h4-10,15,18H,11-14H2,1-3H3/p+1/t18-/m1/s1