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

Systemtic Name: 1-[[4-(phenylmethyl)piperazin-4-ium-1-yl]methyl]pyrrolidine-2,5-dione Openeye Name: 1-[(4-benzylpiperazin-4-ium-1-yl)methyl]pyrrolidine-2,5-dione CAS Name: 1-[[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]pyrrolidine-2,5-dione IUPAC Name: 1-[(4-benzylpiperazin-4-ium-1-yl)methyl]pyrrolidine-2,5-dione Traditional Name: 1-[(4-benzylpiperazin-4-ium-1-yl)methyl]pyrrolidine-2,5-quinone Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1=O)CN2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C1CC(=O)N(C1=O)CN2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H21N3O2/c20-15-6-7-16(21)19(15)13-18-10-8-17(9-11-18)12-14-4-2-1-3-5-14/h1-5H,6-13H2/p+1