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

Systemtic Name: (2S,3S)-3-methyl-1-(phenylmethyl)-2-propyl-piperidin-1-ium Openeye Name: (2S,3S)-1-benzyl-3-methyl-2-propyl-piperidin-1-ium CAS Name: (2S,3S)-3-methyl-1-(phenylmethyl)-2-propylpiperidin-1-ium IUPAC Name: (2S,3S)-1-benzyl-3-methyl-2-propylpiperidin-1-ium Traditional Name: (2S,3S)-1-benzyl-3-methyl-2-propyl-piperidin-1-ium Formula: C16H26N+ MolecularWeight: 232.38434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(CCC[NH+]1CC2=CC=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C16H25N/c1-3-8-16-14(2)9-7-12-17(16)13-15-10-5-4-6-11-15/h4-6,10-11,14,16H,3,7-9,12-13H2,1-2H3/p+1/t14-,16-/m0/s1