U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H24NO4
Molecular Weight 318.3875
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 5
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of N-METHYLCOCAINE CATION

SMILES

COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)C3=CC=CC=C3)[N+]2(C)C

InChI

InChIKey=NRJDVMYLISHSNW-XUWVNRHRSA-N
InChI=1S/C18H24NO4/c1-19(2)13-9-10-14(19)16(18(21)22-3)15(11-13)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,9-11H2,1-3H3/q+1/t13-,14+,15-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H24NO4
Molecular Weight 318.3875
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 4 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

Substance Class Chemical
Record UNII
H0DEE7N3J2
Record Status Validated (UNII)
Record Version