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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-methyl-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-hydroxy-2-methyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromone Formula: C22H21N2O3S+ MolecularWeight: 393.47874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20N2O3S/c1-13-19(22-23-16-6-2-3-7-18(16)28-22)20(26)14-8-9-17(25)15(21(14)27-13)12-24-10-4-5-11-24/h2-3,6-9,25H,4-5,10-12H2,1H3/p+1