[4-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethoxy]phenyl]methylazanium

Systemtic Name: [4-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethoxy]phenyl]methylazanium Openeye Name: [4-[2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethoxy]phenyl]methylammonium CAS Name: [4-[2-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-2-oxoethoxy]phenyl]methylammonium IUPAC Name: [4-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]methylazanium Traditional Name: [4-[2-[(2S,6S)-2,6-dimethylpiperidino]-2-keto-ethoxy]benzyl]ammonium Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)COC2=CC=C(C=C2)C[NH3+])C

Isomeric SMILES

C[C@H]1CCC[C@@H](N1C(=O)COC2=CC=C(C=C2)C[NH3+])C

InChI

InChI=1S/C16H24N2O2/c1-12-4-3-5-13(2)18(12)16(19)11-20-15-8-6-14(10-17)7-9-15/h6-9,12-13H,3-5,10-11,17H2,1-2H3/p+1/t12-,13-/m0/s1