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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(C[NH2+]1)CC(C)C)CC2=CC=CC=C2

Isomeric SMILES

C[C@@H]1CN([C@@H](C[NH2+]1)CC(C)C)CC2=CC=CC=C2

InChI

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