(2S,5R)-2-(2-methylpropyl)-1-(phenylmethyl)-5-propan-2-yl-piperazin-4-ium

Systemtic Name: (2S,5R)-2-(2-methylpropyl)-1-(phenylmethyl)-5-propan-2-yl-piperazin-4-ium Openeye Name: (2S,5R)-1-benzyl-2-isobutyl-5-isopropyl-piperazin-4-ium CAS Name: (2S,5R)-2-(2-methylpropyl)-1-(phenylmethyl)-5-propan-2-ylpiperazin-4-ium IUPAC Name: (2S,5R)-1-benzyl-2-(2-methylpropyl)-5-propan-2-ylpiperazin-4-ium Traditional Name: (2S,5R)-1-benzyl-2-isobutyl-5-isopropyl-piperazin-4-ium Formula: C18H31N2+ MolecularWeight: 275.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2/c1-14(2)10-17-11-19-18(15(3)4)13-20(17)12-16-8-6-5-7-9-16/h5-9,14-15,17-19H,10-13H2,1-4H3/p+1/t17-,18-/m0/s1