(3S)-1-cyclohexyl-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione

Systemtic Name: (3S)-1-cyclohexyl-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]pyrrolidine-2,5-dione Openeye Name: (3S)-3-(4-benzylpiperazine-1,4-diium-1-yl)-1-cyclohexyl-pyrrolidine-2,5-dione CAS Name: (3S)-1-cyclohexyl-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]pyrrolidine-2,5-dione IUPAC Name: (3S)-3-(4-benzylpiperazine-1,4-diium-1-yl)-1-cyclohexylpyrrolidine-2,5-dione Traditional Name: (3S)-3-(4-benzylpiperazine-1,4-diium-1-yl)-1-cyclohexyl-pyrrolidine-2,5-quinone Formula: C21H31N3O2+2 MolecularWeight: 357.48974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)CC(C2=O)[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)N2C(=O)C[C@@H](C2=O)[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H29N3O2/c25-20-15-19(21(26)24(20)18-9-5-2-6-10-18)23-13-11-22(12-14-23)16-17-7-3-1-4-8-17/h1,3-4,7-8,18-19H,2,5-6,9-16H2/p+2/t19-/m0/s1