[(2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-4-phenyl-butyl]azanium

Systemtic Name: [(2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-4-phenyl-butyl]azanium Openeye Name: [(2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-4-phenyl-butyl]ammonium CAS Name: [(2R)-2-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-4-phenylbutyl]ammonium IUPAC Name: [(2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-4-phenylbutyl]azanium Traditional Name: [(2R)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-4-phenyl-butyl]ammonium Formula: C17H30N2+2 MolecularWeight: 262.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)C(CCC2=CC=CC=C2)C[NH3+])C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)[C@H](CCC2=CC=CC=C2)C[NH3+])C

InChI

InChI=1S/C17H28N2/c1-14-10-15(2)13-19(12-14)17(11-18)9-8-16-6-4-3-5-7-16/h3-7,14-15,17H,8-13,18H2,1-2H3/p+2/t14-,15-,17+/m0/s1