(3R)-1-(3-chloranyl-2-methyl-phenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(3-chloranyl-2-methyl-phenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-(3-chloro-2-methyl-phenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3R)-1-(3-chloro-2-methylphenyl)-3-(4-phenyl-1-piperazin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-(3-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-1-(3-chloro-2-methyl-phenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C21H23ClN3O2+ MolecularWeight: 384.87922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C[C@H](C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C21H22ClN3O2/c1-15-17(22)8-5-9-18(15)25-20(26)14-19(21(25)27)24-12-10-23(11-13-24)16-6-3-2-4-7-16/h2-9,19H,10-14H2,1H3/p+1/t19-/m1/s1