4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-7-ethyl-chromen-2-one

Systemtic Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-7-ethyl-chromen-2-one CAS Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-7-ethylchromen-2-one Traditional Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-7-ethyl-coumarin Formula: C23H23N2O2S+ MolecularWeight: 391.50592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC[C@@H]3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H22N2O2S/c1-2-15-9-10-17-16(13-22(26)27-20(17)12-15)14-25-11-5-7-19(25)23-24-18-6-3-4-8-21(18)28-23/h3-4,6,8-10,12-13,19H,2,5,7,11,14H2,1H3/p+1/t19-/m1/s1