(3S)-3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

Systemtic Name: (3S)-3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione Openeye Name: (3S)-3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione CAS Name: (3S)-3-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione IUPAC Name: (3S)-3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione Traditional Name: (3S)-3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-1-p-phenetyl-pyrrolidine-2,5-quinone Formula: C22H25ClN3O3+ MolecularWeight: 414.9052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCN(CC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H24ClN3O3/c1-2-29-17-9-7-16(8-10-17)26-21(27)15-20(22(26)28)25-13-11-24(12-14-25)19-6-4-3-5-18(19)23/h3-10,20H,2,11-15H2,1H3/p+1/t20-/m0/s1