(3S)-1-(2,6-dimethylphenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-(2,6-dimethylphenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(2,6-dimethylphenyl)-3-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3S)-1-(2,6-dimethylphenyl)-3-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(2,6-dimethylphenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(2,6-dimethylphenyl)-3-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C26H28N3O4S+ MolecularWeight: 478.58322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H27N3O4S/c1-18-6-5-7-19(2)25(18)29-24(30)17-23(26(29)31)27-12-14-28(15-13-27)34(32,33)22-11-10-20-8-3-4-9-21(20)16-22/h3-11,16,23H,12-15,17H2,1-2H3/p+1/t23-/m0/s1