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

Systemtic Name: (3S)-1-(4-methylphenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]-1-(p-tolyl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(4-methylphenyl)-3-[4-(2-naphthalenylsulfonyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(4-methylphenyl)-3-(4-naphthalen-2-ylsulfonylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(2-naphthylsulfonyl)piperazin-1-ium-1-yl]-1-(p-tolyl)pyrrolidine-2,5-quinone Formula: C25H26N3O4S+ MolecularWeight: 464.55664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O4S/c1-18-6-9-21(10-7-18)28-24(29)17-23(25(28)30)26-12-14-27(15-13-26)33(31,32)22-11-8-19-4-2-3-5-20(19)16-22/h2-11,16,23H,12-15,17H2,1H3/p+1/t23-/m0/s1