(2R,3R)-2,3-dimethyl-1-phenethyl-piperidin-1-ium-4-one

Systemtic Name: (2R,3R)-2,3-dimethyl-1-phenethyl-piperidin-1-ium-4-one Openeye Name: (2R,3R)-2,3-dimethyl-1-phenethyl-piperidin-1-ium-4-one CAS Name: (2R,3R)-2,3-dimethyl-1-phenethyl-4-piperidin-1-iumone IUPAC Name: (2R,3R)-2,3-dimethyl-1-phenethylpiperidin-1-ium-4-one Traditional Name: (2R,3R)-2,3-dimethyl-1-phenethyl-piperidin-1-ium-4-one Formula: C15H22NO+ MolecularWeight: 232.34128

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Descriptors Computed from Structure

Canonical SMILES:

CC1C([NH+](CCC1=O)CCC2=CC=CC=C2)C

Isomeric SMILES

C[C@@H]1[C@H]([NH+](CCC1=O)CCC2=CC=CC=C2)C

InChI

InChI=1S/C15H21NO/c1-12-13(2)16(11-9-15(12)17)10-8-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3/p+1/t12-,13-/m1/s1