[(1R)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-phenyl-propyl]azanium

Systemtic Name: [(1R)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-phenyl-propyl]azanium Openeye Name: [(1R)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-phenyl-propyl]ammonium CAS Name: [(1R)-3-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-1-phenylpropyl]ammonium IUPAC Name: [(1R)-3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-1-phenylpropyl]azanium Traditional Name: [(1R)-3-[(3S,5S)-3,5-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:

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

Isomeric SMILES

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

InChI

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