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

Systemtic Name: (3R)-1-(2-methylpropyl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3R)-3-(4-benzylpiperazin-1-ium-1-yl)-1-isobutyl-pyrrolidine-2,5-dione CAS Name: (3R)-1-(2-methylpropyl)-3-[4-(phenylmethyl)-1-piperazin-1-iumyl]pyrrolidine-2,5-dione IUPAC Name: (3R)-3-(4-benzylpiperazin-1-ium-1-yl)-1-(2-methylpropyl)pyrrolidine-2,5-dione Traditional Name: (3R)-3-(4-benzylpiperazin-1-ium-1-yl)-1-isobutyl-pyrrolidine-2,5-quinone Formula: C19H28N3O2+ MolecularWeight: 330.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)CC(C1=O)[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CN1C(=O)C[C@H](C1=O)[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H27N3O2/c1-15(2)13-22-18(23)12-17(19(22)24)21-10-8-20(9-11-21)14-16-6-4-3-5-7-16/h3-7,15,17H,8-14H2,1-2H3/p+1/t17-/m1/s1