(3R)-1-(2-methylphenyl)-3-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(2-methylphenyl)-3-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-1-(o-tolyl)-3-[4-(2-thienylmethyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-1-(2-methylphenyl)-3-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(2-methylphenyl)-3-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-1-(o-tolyl)-3-[4-(2-thenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C20H24N3O2S+ MolecularWeight: 370.48846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)CC(C2=O)[NH+]3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C20H23N3O2S/c1-15-5-2-3-7-17(15)23-19(24)13-18(20(23)25)22-10-8-21(9-11-22)14-16-6-4-12-26-16/h2-7,12,18H,8-11,13-14H2,1H3/p+1/t18-/m1/s1