(3R)-1-(phenylmethyl)-3-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione

Systemtic Name: (3R)-1-(phenylmethyl)-3-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Openeye Name: (3R)-1-benzyl-3-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione CAS Name: (3R)-1-(phenylmethyl)-3-[4-(2-pyrazinyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-1-benzyl-3-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-dione Traditional Name: (3R)-1-benzyl-3-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)pyrrolidine-2,5-quinone Formula: C19H22N5O2+ MolecularWeight: 352.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)CC3=CC=CC=C3)C4=NC=CN=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@@H]2CC(=O)N(C2=O)CC3=CC=CC=C3)C4=NC=CN=C4

InChI

InChI=1S/C19H21N5O2/c25-18-12-16(19(26)24(18)14-15-4-2-1-3-5-15)22-8-10-23(11-9-22)17-13-20-6-7-21-17/h1-7,13,16H,8-12,14H2/p+1/t16-/m1/s1