U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C19H28NO3
Molecular Weight 318.4305
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of GLYCOPYRRONIUM ERYTHRO ISOMER

SMILES

C[N+]1(C)CC[C@H](C1)OC(=O)[C@@](O)(C2CCCC2)C3=CC=CC=C3

InChI

InChIKey=ANGKOCUUWGHLCE-MJGOQNOKSA-N
InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1/t17-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H28NO3
Molecular Weight 318.4305
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
7KJ23ZQ4CK
Record Status Validated (UNII)
Record Version