(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol

Systemtic Name: (2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Openeye Name: (2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol CAS Name: (2R)-1-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-3-(4-phenylphenoxy)-2-propanol IUPAC Name: (2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Traditional Name: (2R)-1-[(3S,5S)-3,5-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:

CC1CC(C[NH+](C1)CC(COC2=CC=C(C=C2)C3=CC=CC=C3)O)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)C[C@H](COC2=CC=C(C=C2)C3=CC=CC=C3)O)C

InChI

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