[(1R)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-phenyl-propyl]azanium

Systemtic Name: [(1R)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-phenyl-propyl]azanium Openeye Name: [(1R)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-phenyl-propyl]ammonium CAS Name: [(1R)-3-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-1-phenylpropyl]ammonium IUPAC Name: [(1R)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-phenylpropyl]azanium Traditional Name: [(1R)-3-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-1-phenyl-propyl]ammonium Formula: C16H28N2+2 MolecularWeight: 248.40692

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CCC(C2=CC=CC=C2)[NH3+])C

Isomeric SMILES

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

InChI

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