1-[(2S)-2-oxidanyl-3-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxy-propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-2-oxidanyl-3-(2-oxidanylidene-4-phenyl-chromen-7-yl)oxy-propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(2S)-2-hydroxy-3-(2-oxo-4-phenyl-chromen-7-yl)oxy-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-2-hydroxy-3-[(2-oxo-4-phenyl-1-benzopyran-7-yl)oxy]propyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-2-hydroxy-3-(2-oxo-4-phenylchromen-7-yl)oxypropyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(2S)-2-hydroxy-3-(2-keto-4-phenyl-chromen-7-yl)oxy-propyl]piperidin-1-ium-4-carboxamide Formula: C24H27N2O5+ MolecularWeight: 423.48158

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(COC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4)O

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)C[C@@H](COC2=CC3=C(C=C2)C(=CC(=O)O3)C4=CC=CC=C4)O

InChI

InChI=1S/C24H26N2O5/c25-24(29)17-8-10-26(11-9-17)14-18(27)15-30-19-6-7-20-21(16-4-2-1-3-5-16)13-23(28)31-22(20)12-19/h1-7,12-13,17-18,27H,8-11,14-15H2,(H2,25,29)/p+1/t18-/m0/s1