(2S,3S)-2-tert-butyl-3-methyl-1-(phenylmethyl)piperidin-1-ium

Systemtic Name: (2S,3S)-2-tert-butyl-3-methyl-1-(phenylmethyl)piperidin-1-ium Openeye Name: (2S,3S)-1-benzyl-2-tert-butyl-3-methyl-piperidin-1-ium CAS Name: (2S,3S)-2-tert-butyl-3-methyl-1-(phenylmethyl)piperidin-1-ium IUPAC Name: (2S,3S)-1-benzyl-2-tert-butyl-3-methylpiperidin-1-ium Traditional Name: (2S,3S)-1-benzyl-2-tert-butyl-3-methyl-piperidin-1-ium Formula: C17H28N+ MolecularWeight: 246.41092

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1C(C)(C)C)CC2=CC=CC=C2

Isomeric SMILES

C[C@H]1CCC[NH+]([C@@H]1C(C)(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C17H27N/c1-14-9-8-12-18(16(14)17(2,3)4)13-15-10-6-5-7-11-15/h5-7,10-11,14,16H,8-9,12-13H2,1-4H3/p+1/t14-,16-/m0/s1