(2R,5S)-4-(diphenylmethyl)-1,1-diethyl-2,5-dimethyl-piperazin-1-ium iodide

Systemtic Name: (2R,5S)-4-(diphenylmethyl)-1,1-diethyl-2,5-dimethyl-piperazin-1-ium iodide Openeye Name: (2R,5S)-4-benzhydryl-1,1-diethyl-2,5-dimethyl-piperazin-1-ium iodide CAS Name: (2R,5S)-4-(diphenylmethyl)-1,1-diethyl-2,5-dimethylpiperazin-1-ium iodide IUPAC Name: (2R,5S)-4-benzhydryl-1,1-diethyl-2,5-dimethylpiperazin-1-ium iodide Traditional Name: (2R,5S)-4-benzhydryl-1,1-diethyl-2,5-dimethyl-piperazin-1-ium iodide Formula: C23H33IN2 MolecularWeight: 464.42599

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CC(N(CC1C)C(C2=CC=CC=C2)C3=CC=CC=C3)C)CC.[I-]

Isomeric SMILES

CC[N+]1(C[C@@H](N(C[C@H]1C)C(C2=CC=CC=C2)C3=CC=CC=C3)C)CC.[I-]

InChI

InChI=1S/C23H33N2.HI/c1-5-25(6-2)18-19(3)24(17-20(25)4)23(21-13-9-7-10-14-21)22-15-11-8-12-16-22;/h7-16,19-20,23H,5-6,17-18H2,1-4H3;1H/q+1;/p-1/t19-,20+;/m0./s1