3-[(3R)-3,4-dimethyl-1-[(3S)-3-oxidanyl-3-phenyl-propyl]piperidin-1-ium-1-yl]phenol

Systemtic Name: 3-[(3R)-3,4-dimethyl-1-[(3S)-3-oxidanyl-3-phenyl-propyl]piperidin-1-ium-1-yl]phenol Openeye Name: 3-[(3R)-1-[(3S)-3-hydroxy-3-phenyl-propyl]-3,4-dimethyl-piperidin-1-ium-1-yl]phenol CAS Name: 3-[(3R)-1-[(3S)-3-hydroxy-3-phenylpropyl]-3,4-dimethyl-1-piperidin-1-iumyl]phenol IUPAC Name: 3-[(3R)-1-[(3S)-3-hydroxy-3-phenylpropyl]-3,4-dimethylpiperidin-1-ium-1-yl]phenol Traditional Name: 3-[(3R)-1-[(3S)-3-hydroxy-3-phenyl-propyl]-3,4-dimethyl-piperidin-1-ium-1-yl]phenol Formula: C22H30NO2+ MolecularWeight: 340.4791

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[N+](CC1C)(CCC(C2=CC=CC=C2)O)C3=CC(=CC=C3)O

Isomeric SMILES

C[C@H]1C[N+](CCC1C)(CC[C@@H](C2=CC=CC=C2)O)C3=CC(=CC=C3)O

InChI

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