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

Systemtic Name: 7-[(2S)-2-oxidanyl-3-(pyridin-1-ium-2-ylamino)propoxy]-4-phenyl-chromen-2-one Openeye Name: 7-[(2S)-2-hydroxy-3-(pyridin-1-ium-2-ylamino)propoxy]-4-phenyl-chromen-2-one CAS Name: 7-[(2S)-2-hydroxy-3-(2-pyridin-1-iumylamino)propoxy]-4-phenyl-1-benzopyran-2-one IUPAC Name: 7-[(2S)-2-hydroxy-3-(pyridin-1-ium-2-ylamino)propoxy]-4-phenylchromen-2-one Traditional Name: 7-[(2S)-2-hydroxy-3-(pyridin-1-ium-2-ylamino)propoxy]-4-phenyl-coumarin Formula: C23H21N2O4+ MolecularWeight: 389.42384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)OCC(CNC4=CC=CC=[NH+]4)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3)OC[C@H](CNC4=CC=CC=[NH+]4)O

InChI

InChI=1S/C23H20N2O4/c26-17(14-25-22-8-4-5-11-24-22)15-28-18-9-10-19-20(16-6-2-1-3-7-16)13-23(27)29-21(19)12-18/h1-13,17,26H,14-15H2,(H,24,25)/p+1/t17-/m0/s1