(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol

Systemtic Name: (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Openeye Name: (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol CAS Name: (2R)-1-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-3-(4-phenylphenoxy)-2-propanol IUPAC Name: (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Traditional Name: (2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Formula: C22H30NO2+ MolecularWeight: 340.4791

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC(COC2=CC=C(C=C2)C3=CC=CC=C3)O)C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH+]1C[C@H](COC2=CC=C(C=C2)C3=CC=CC=C3)O)C

InChI

InChI=1S/C22H29NO2/c1-17-7-6-8-18(2)23(17)15-21(24)16-25-22-13-11-20(12-14-22)19-9-4-3-5-10-19/h3-5,9-14,17-18,21,24H,6-8,15-16H2,1-2H3/p+1/t17-,18-,21+/m0/s1