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

Systemtic Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-7-methoxychromen-2-one Traditional Name: 4-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-7-methoxy-coumarin Formula: C22H21N2O3S+ MolecularWeight: 393.47874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC[C@@H]3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20N2O3S/c1-26-15-8-9-16-14(11-21(25)27-19(16)12-15)13-24-10-4-6-18(24)22-23-17-5-2-3-7-20(17)28-22/h2-3,5,7-9,11-12,18H,4,6,10,13H2,1H3/p+1/t18-/m1/s1