(2S,5R)-2,5-dimethyl-1-(phenylmethyl)piperazin-4-ium

Systemtic Name: (2S,5R)-2,5-dimethyl-1-(phenylmethyl)piperazin-4-ium Openeye Name: (2S,5R)-1-benzyl-2,5-dimethyl-piperazin-4-ium CAS Name: (2S,5R)-2,5-dimethyl-1-(phenylmethyl)piperazin-4-ium IUPAC Name: (2S,5R)-1-benzyl-2,5-dimethylpiperazin-4-ium Traditional Name: (2S,5R)-1-benzyl-2,5-dimethyl-piperazin-4-ium Formula: C13H21N2+ MolecularWeight: 205.31924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH2+]C(CN1CC2=CC=CC=C2)C

Isomeric SMILES

C[C@H]1C[NH2+][C@@H](CN1CC2=CC=CC=C2)C

InChI

InChI=1S/C13H20N2/c1-11-9-15(12(2)8-14-11)10-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10H2,1-2H3/p+1/t11-,12+/m1/s1