9-(pyridin-3-ylmethyl)-3-thiophen-2-yl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one

Systemtic Name: 9-(pyridin-3-ylmethyl)-3-thiophen-2-yl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Openeye Name: 9-(3-pyridylmethyl)-3-(2-thienyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one CAS Name: 9-(3-pyridinylmethyl)-3-thiophen-2-yl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one IUPAC Name: 9-(pyridin-3-ylmethyl)-3-thiophen-2-yl-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Traditional Name: 9-(3-pyridylmethyl)-3-(2-thienyl)-9,10-dihydro-8H-pyrano[2,3-f][1,3]benzoxazin-9-ium-2-one Formula: C21H17N2O3S+ MolecularWeight: 377.43628

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC3=C2OC(=O)C(=C3)C4=CC=CS4)OC[NH+]1CC5=CN=CC=C5

Isomeric SMILES

C1C2=C(C=CC3=C2OC(=O)C(=C3)C4=CC=CS4)OC[NH+]1CC5=CN=CC=C5

InChI

InChI=1S/C21H16N2O3S/c24-21-16(19-4-2-8-27-19)9-15-5-6-18-17(20(15)26-21)12-23(13-25-18)11-14-3-1-7-22-10-14/h1-10H,11-13H2/p+1