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

Systemtic Name: 7-[(2S)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-oxidanyl-propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Openeye Name: 7-[(2S)-2-hydroxy-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one CAS Name: 7-[(2S)-2-hydroxy-3-[(3S)-3-methyl-1-piperidin-1-iumyl]propoxy]-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one IUPAC Name: 7-[(2S)-2-hydroxy-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Traditional Name: 7-[(2S)-2-hydroxy-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Formula: C21H28NO4+ MolecularWeight: 358.45132

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(COC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3)O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)C[C@@H](COC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3)O

InChI

InChI=1S/C21H27NO4/c1-14-4-3-9-22(11-14)12-15(23)13-25-16-7-8-18-17-5-2-6-19(17)21(24)26-20(18)10-16/h7-8,10,14-15,23H,2-6,9,11-13H2,1H3/p+1/t14-,15-/m0/s1