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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(CNC3=CC=CC=[NH+]3)O)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC[C@H](CNC3=CC=CC=[NH+]3)O)C

InChI

InChI=1S/C19H20N2O4/c1-12-13(2)19(23)25-17-9-15(6-7-16(12)17)24-11-14(22)10-21-18-5-3-4-8-20-18/h3-9,14,22H,10-11H2,1-2H3,(H,20,21)/p+1/t14-/m0/s1