3-[(3R,4R)-3,4-dimethylpiperidin-1-ium-4-yl]phenol

Systemtic Name: 3-[(3R,4R)-3,4-dimethylpiperidin-1-ium-4-yl]phenol Openeye Name: 3-[(3R,4R)-3,4-dimethylpiperidin-1-ium-4-yl]phenol CAS Name: 3-[(3R,4R)-3,4-dimethyl-4-piperidin-1-iumyl]phenol IUPAC Name: 3-[(3R,4R)-3,4-dimethylpiperidin-1-ium-4-yl]phenol Traditional Name: 3-[(3R,4R)-3,4-dimethylpiperidin-1-ium-4-yl]phenol Formula: C13H20NO+ MolecularWeight: 206.304

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH2+]CCC1(C)C2=CC(=CC=C2)O

Isomeric SMILES

C[C@H]1C[NH2+]CC[C@@]1(C)C2=CC(=CC=C2)O

InChI

InChI=1S/C13H19NO/c1-10-9-14-7-6-13(10,2)11-4-3-5-12(15)8-11/h3-5,8,10,14-15H,6-7,9H2,1-2H3/p+1/t10-,13+/m0/s1