(2R,5R)-2-methyl-5-(2-methylpropyl)-1-(phenylmethyl)piperazin-4-ium

Systemtic Name: (2R,5R)-2-methyl-5-(2-methylpropyl)-1-(phenylmethyl)piperazin-4-ium Openeye Name: (2R,5R)-1-benzyl-5-isobutyl-2-methyl-piperazin-4-ium CAS Name: (2R,5R)-2-methyl-5-(2-methylpropyl)-1-(phenylmethyl)piperazin-4-ium IUPAC Name: (2R,5R)-1-benzyl-2-methyl-5-(2-methylpropyl)piperazin-4-ium Traditional Name: (2R,5R)-1-benzyl-5-isobutyl-2-methyl-piperazin-4-ium Formula: C16H27N2+ MolecularWeight: 247.39898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2/c1-13(2)9-16-12-18(14(3)10-17-16)11-15-7-5-4-6-8-15/h4-8,13-14,16-17H,9-12H2,1-3H3/p+1/t14-,16-/m1/s1