3-(1,3-benzothiazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-8-(morpholin-4-ium-4-ylmethyl)-4-oxidanyl-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-4-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(1,3-benzothiazol-2-yl)-4-hydroxy-8-(4-morpholin-4-iumylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-4-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-4-hydroxy-8-(morpholin-4-ium-4-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C21H23N2O4S+ MolecularWeight: 399.48332

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=COC2C(C1=O)C[NH+]3CCOCC3)C4=NC5=CC=CC=C5S4)O

Isomeric SMILES

C1CC2=C(C(=COC2C(C1=O)C[NH+]3CCOCC3)C4=NC5=CC=CC=C5S4)O

InChI

InChI=1S/C21H22N2O4S/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/h1-4,12,14,20,25H,5-11H2/p+1