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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H18NO4.C2H6NO3S
Molecular Weight 328.382
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Acetyl L-carnitine taurinate

SMILES

NCCS([O-])(=O)=O.CC(=O)O[C@H](CC(O)=O)C[N+](C)(C)C

InChI

InChIKey=BQGBBTYEIVIBIO-DDWIOCJRSA-N
InChI=1S/C9H17NO4.C2H7NO3S/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;3-1-2-7(4,5)6/h8H,5-6H2,1-4H3;1-3H2,(H,4,5,6)/t8-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C2H6NO3S
Molecular Weight 124.139
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H18NO4
Molecular Weight 204.2435
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity ( - )

Approval Year

Substance Class Chemical
Record UNII
S3Z3R3X6RL
Record Status Validated (UNII)
Record Version