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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-oxidanyl-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-(1-pyrrolidin-1-iumylmethyl)-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-2-ethyl-7-hydroxy-8-(pyrrolidin-1-ium-1-ylmethyl)chromone Formula: C23H23N2O3S+ MolecularWeight: 407.50532

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+]3CCCC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H22N2O3S/c1-2-18-20(23-24-16-7-3-4-8-19(16)29-23)21(27)14-9-10-17(26)15(22(14)28-18)13-25-11-5-6-12-25/h3-4,7-10,26H,2,5-6,11-13H2,1H3/p+1