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

Systemtic Name: (3R)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-(phenylmethyl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione CAS Name: (3R)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-(phenylmethyl)pyrrolidine-2,5-dione IUPAC Name: (3R)-1-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Traditional Name: (3R)-1-benzyl-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-quinone Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CC(=O)N(C3=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@@H]3CC(=O)N(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3/c1-28-19-9-7-18(8-10-19)23-11-13-24(14-12-23)20-15-21(26)25(22(20)27)16-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3/p+1/t20-/m1/s1