[(2R)-1-anthracen-9-ylpropan-2-yl] 4,4-dimethylpiperazin-4-ium-1-carboxylate iodide

Systemtic Name: [(2R)-1-anthracen-9-ylpropan-2-yl] 4,4-dimethylpiperazin-4-ium-1-carboxylate iodide Openeye Name: [(1R)-2-(9-anthryl)-1-methyl-ethyl] 4,4-dimethylpiperazin-4-ium-1-carboxylate iodide CAS Name: 4,4-dimethyl-1-piperazin-4-iumcarboxylic acid [(2R)-1-(9-anthracenyl)propan-2-yl] ester iodide IUPAC Name: [(2R)-1-anthracen-9-ylpropan-2-yl] 4,4-dimethylpiperazin-4-ium-1-carboxylate iodide Traditional Name: 4,4-dimethylpiperazin-4-ium-1-carboxylic acid [(1R)-2-(9-anthryl)-1-methyl-ethyl] ester iodide Formula: C24H29IN2O2 MolecularWeight: 504.40373

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C2C=CC=CC2=CC3=CC=CC=C31)OC(=O)N4CC[N+](CC4)(C)C.[I-]

Isomeric SMILES

C[C@H](CC1=C2C=CC=CC2=CC3=CC=CC=C31)OC(=O)N4CC[N+](CC4)(C)C.[I-]

InChI

InChI=1S/C24H29N2O2.HI/c1-18(28-24(27)25-12-14-26(2,3)15-13-25)16-23-21-10-6-4-8-19(21)17-20-9-5-7-11-22(20)23;/h4-11,17-18H,12-16H2,1-3H3;1H/q+1;/p-1/t18-;/m1./s1