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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2/c1-13-8-14(2)12-18(11-13)16(10-17)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