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

Systemtic Name: 7-[(2S)-2-oxidanyl-3-piperidin-1-ium-1-yl-propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Openeye Name: 7-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one CAS Name: 7-[(2S)-2-hydroxy-3-(1-piperidin-1-iumyl)propoxy]-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one IUPAC Name: 7-[(2S)-2-hydroxy-3-piperidin-1-ium-1-ylpropoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Traditional Name: 7-[(2S)-2-hydroxy-3-piperidin-1-ium-1-yl-propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Formula: C20H26NO4+ MolecularWeight: 344.42474

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3)O

InChI

InChI=1S/C20H25NO4/c22-14(12-21-9-2-1-3-10-21)13-24-15-7-8-17-16-5-4-6-18(16)20(23)25-19(17)11-15/h7-8,11,14,22H,1-6,9-10,12-13H2/p+1/t14-/m0/s1