4,8-dimethyl-7-[(2S)-2-oxidanyl-3-(pyridin-1-ium-4-ylamino)propoxy]chromen-2-one

Systemtic Name: 4,8-dimethyl-7-[(2S)-2-oxidanyl-3-(pyridin-1-ium-4-ylamino)propoxy]chromen-2-one Openeye Name: 7-[(2S)-2-hydroxy-3-(pyridin-1-ium-4-ylamino)propoxy]-4,8-dimethyl-chromen-2-one CAS Name: 7-[(2S)-2-hydroxy-3-(4-pyridin-1-iumylamino)propoxy]-4,8-dimethyl-1-benzopyran-2-one IUPAC Name: 7-[(2S)-2-hydroxy-3-(pyridin-1-ium-4-ylamino)propoxy]-4,8-dimethylchromen-2-one Traditional Name: 7-[(2S)-2-hydroxy-3-(pyridin-1-ium-4-ylamino)propoxy]-4,8-dimethyl-coumarin Formula: C19H21N2O4+ MolecularWeight: 341.38104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C)OCC(CNC3=CC=[NH+]C=C3)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C)OC[C@H](CNC3=CC=[NH+]C=C3)O

InChI

InChI=1S/C19H20N2O4/c1-12-9-18(23)25-19-13(2)17(4-3-16(12)19)24-11-15(22)10-21-14-5-7-20-8-6-14/h3-9,15,22H,10-11H2,1-2H3,(H,20,21)/p+1/t15-/m0/s1