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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-4-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-4-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one CAS Name: 3-(1,3-benzothiazol-2-yl)-4-hydroxy-8-(1-pyrrolidin-1-iumylmethyl)-5,6,8,8a-tetrahydro-1-benzopyran-7-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-4-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-4-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)-5,6,8,8a-tetrahydrochromen-7-one Formula: C21H23N2O3S+ MolecularWeight: 383.48392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2C3C(=C(C(=CO3)C4=NC5=CC=CC=C5S4)O)CCC2=O

Isomeric SMILES

C1CC[NH+](C1)CC2C3C(=C(C(=CO3)C4=NC5=CC=CC=C5S4)O)CCC2=O

InChI

InChI=1S/C21H22N2O3S/c24-17-8-7-13-19(25)15(21-22-16-5-1-2-6-18(16)27-21)12-26-20(13)14(17)11-23-9-3-4-10-23/h1-2,5-6,12,14,20,25H,3-4,7-11H2/p+1