[(2S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-3-phenyl-propan-2-yl]azanium

Systemtic Name: [(2S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]ammonium CAS Name: [(2S)-1-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-3-phenylpropan-2-yl]ammonium IUPAC Name: [(2S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]ethyl]ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(CC2=CC=CC=C2)[NH3+])C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)C[C@H](CC2=CC=CC=C2)[NH3+])C

InChI

InChI=1S/C16H26N2/c1-13-8-14(2)11-18(10-13)12-16(17)9-15-6-4-3-5-7-15/h3-7,13-14,16H,8-12,17H2,1-2H3/p+2/t13-,14-,16-/m0/s1