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

Systemtic Name: (3S)-1-(5-chloranyl-2-methyl-phenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(5-chloro-2-methyl-phenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(5-chloro-2-methylphenyl)-3-(4-phenyl-1-piperazin-1-iumyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(5-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(5-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=C(C=C1)Cl)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2/c1-15-7-8-16(22)13-18(15)25-20(26)14-19(21(25)27)24-11-9-23(10-12-24)17-5-3-2-4-6-17/h2-8,13,19H,9-12,14H2,1H3/p+1/t19-/m0/s1