3-[[4-(4-methoxy-3,5-dimethyl-phenyl)phenyl]methyl]-1-methyl-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-ium-2,5-dione

Systemtic Name: 3-[[4-(4-methoxy-3,5-dimethyl-phenyl)phenyl]methyl]-1-methyl-1-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-ium-2,5-dione Openeye Name: 3-[[4-(4-methoxy-3,5-dimethyl-phenyl)phenyl]methyl]-1-methyl-1-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-ium-2,5-dione CAS Name: 3-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]-1-methyl-1-[2-oxo-2-(1-piperidinyl)ethyl]piperazin-1-ium-2,5-dione IUPAC Name: 3-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]-1-methyl-1-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-ium-2,5-dione Traditional Name: 1-(2-keto-2-piperidino-ethyl)-3-[4-(4-methoxy-3,5-dimethyl-phenyl)benzyl]-1-methyl-piperazin-1-ium-2,5-quinone Formula: C28H36N3O4+ MolecularWeight: 478.60314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)C2=CC=C(C=C2)CC3C(=O)[N+](CC(=O)N3)(C)CC(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)C2=CC=C(C=C2)CC3C(=O)[N+](CC(=O)N3)(C)CC(=O)N4CCCCC4

InChI

InChI=1S/C28H35N3O4/c1-19-14-23(15-20(2)27(19)35-4)22-10-8-21(9-11-22)16-24-28(34)31(3,17-25(32)29-24)18-26(33)30-12-6-5-7-13-30/h8-11,14-15,24H,5-7,12-13,16-18H2,1-4H3/p+1