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

Systemtic Name: (3R)-3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione Openeye Name: (3R)-3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-1-phenyl-pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]-1-phenylpyrrolidine-2,5-dione IUPAC Name: (3R)-3-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-1-phenylpyrrolidine-2,5-dione Traditional Name: (3R)-3-(4-o-phenetylpiperazin-1-ium-1-yl)-1-phenyl-pyrrolidine-2,5-quinone Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)C3CC(=O)N(C3=O)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)[C@@H]3CC(=O)N(C3=O)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3/c1-2-28-20-11-7-6-10-18(20)23-12-14-24(15-13-23)19-16-21(26)25(22(19)27)17-8-4-3-5-9-17/h3-11,19H,2,12-16H2,1H3/p+1/t19-/m1/s1