7-[(2S)-2-oxidanyl-3-(pyridin-1-ium-2-ylamino)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

Systemtic Name: 7-[(2S)-2-oxidanyl-3-(pyridin-1-ium-2-ylamino)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Openeye Name: 7-[(2S)-2-hydroxy-3-(pyridin-1-ium-2-ylamino)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one CAS Name: 7-[(2S)-2-hydroxy-3-(2-pyridin-1-iumylamino)propoxy]-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one IUPAC Name: 7-[(2S)-2-hydroxy-3-(pyridin-1-ium-2-ylamino)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Traditional Name: 7-[(2S)-2-hydroxy-3-(pyridin-1-ium-2-ylamino)propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Formula: C20H21N2O4+ MolecularWeight: 353.39174

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OCC(CNC4=CC=CC=[NH+]4)O

Isomeric SMILES

C1CC2=C(C1)C(=O)OC3=C2C=CC(=C3)OC[C@H](CNC4=CC=CC=[NH+]4)O

InChI

InChI=1S/C20H20N2O4/c23-13(11-22-19-6-1-2-9-21-19)12-25-14-7-8-16-15-4-3-5-17(15)20(24)26-18(16)10-14/h1-2,6-10,13,23H,3-5,11-12H2,(H,21,22)/p+1/t13-/m0/s1