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Details

Stereochemistry RACEMIC
Molecular Formula C16H21NO3.ClH
Molecular Weight 311.804
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 4-oxo-1-phenethylpiperidine-3-carboxylate hydrochloride

SMILES

Cl.CCOC(=O)C1CN(CCC2=CC=CC=C2)CCC1=O

InChI

InChIKey=LMTQWMZJZQCHRG-UHFFFAOYSA-N
InChI=1S/C16H21NO3.ClH/c1-2-20-16(19)14-12-17(11-9-15(14)18)10-8-13-6-4-3-5-7-13;/h3-7,14H,2,8-12H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula C16H21NO3
Molecular Weight 275.3428
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
W6XBV86LPT
Record Status Validated (UNII)
Record Version