3-(1,3-benzothiazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)-7-oxidanyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-(4-morpholin-4-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-8-(morpholin-4-ium-4-ylmethyl)chromone Formula: C21H19N2O4S+ MolecularWeight: 395.45156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=NC5=CC=CC=C5S4)O

Isomeric SMILES

C1COCC[NH+]1CC2=C(C=CC3=C2OC=C(C3=O)C4=NC5=CC=CC=C5S4)O

InChI

InChI=1S/C21H18N2O4S/c24-17-6-5-13-19(25)15(21-22-16-3-1-2-4-18(16)28-21)12-27-20(13)14(17)11-23-7-9-26-10-8-23/h1-6,12,24H,7-11H2/p+1