EKJ

4-[(3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium



Chemical Component Summary

Name4-[(3-{2-[(2-methoxyethyl)amino]-2-oxoethyl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium
Identifiers~{N}-(2-methoxyethyl)-2-[2-[(1-methylquinolin-1-ium-4-yl)methyl]-1,3-benzothiazol-3-ium-3-yl]ethanamide
FormulaC23 H25 N3 O2 S
Molecular Weight407.529
TypeNON-POLYMER
Isomeric SMILESC[n+]1ccc(c2c1cccc2)Cc3[n+](c4ccccc4s3)CC(=O)NCCOC
InChIInChI=1S/C23H24N3O2S/c1-25-13-11-17(18-7-3-4-8-19(18)25)15-23-26(16-22(27)24-12-14-28-2)20-9-5-6-10-21(20)29-23/h3-11,13H,12,14-16H2,1-2H3/q+1/p+1
InChIKeyWEFGJTSJMBBARG-UHFFFAOYSA-O

Chemical Details

Formal Charge2
Atom Count54
Chiral Atom Count0
Bond Count57
Aromatic Bond Count21

Related Resource References

Resource NameReference
PubChem 137349259