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

Systemtic Name: (3S)-1-(3-chloranyl-4-methyl-phenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3S)-1-(3-chloro-4-methyl-phenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3S)-1-(3-chloro-4-methylphenyl)-3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-1-(3-chloro-4-methylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3S)-1-(3-chloro-4-methyl-phenyl)-3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C19H21ClN5O2+ MolecularWeight: 386.85534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=NC=CC=N4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)C4=NC=CC=N4)Cl

InChI

InChI=1S/C19H20ClN5O2/c1-13-3-4-14(11-15(13)20)25-17(26)12-16(18(25)27)23-7-9-24(10-8-23)19-21-5-2-6-22-19/h2-6,11,16H,7-10,12H2,1H3/p+1/t16-/m0/s1