8-[(S)-1,3-benzodioxol-5-yl(piperidin-1-ium-1-yl)methyl]-4-methyl-7-oxidanyl-benzo[h]chromen-2-one

Systemtic Name: 8-[(S)-1,3-benzodioxol-5-yl(piperidin-1-ium-1-yl)methyl]-4-methyl-7-oxidanyl-benzo[h]chromen-2-one Openeye Name: 8-[(S)-1,3-benzodioxol-5-yl(piperidin-1-ium-1-yl)methyl]-7-hydroxy-4-methyl-benzo[h]chromen-2-one CAS Name: 8-[(S)-1,3-benzodioxol-5-yl(1-piperidin-1-iumyl)methyl]-7-hydroxy-4-methyl-2-benzo[h][1]benzopyranone IUPAC Name: 8-[(S)-1,3-benzodioxol-5-yl(piperidin-1-ium-1-yl)methyl]-7-hydroxy-4-methylbenzo[h]chromen-2-one Traditional Name: 8-[(S)-1,3-benzodioxol-5-yl(piperidin-1-ium-1-yl)methyl]-7-hydroxy-4-methyl-benzo[h]chromen-2-one Formula: C27H26NO5+ MolecularWeight: 444.49904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC3=C2C=CC(=C3O)C(C4=CC5=C(C=C4)OCO5)[NH+]6CCCCC6

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC3=C2C=CC(=C3O)[C@H](C4=CC5=C(C=C4)OCO5)[NH+]6CCCCC6

InChI

InChI=1S/C27H25NO5/c1-16-13-24(29)33-27-18(16)6-7-19-20(27)8-9-21(26(19)30)25(28-11-3-2-4-12-28)17-5-10-22-23(14-17)32-15-31-22/h5-10,13-14,25,30H,2-4,11-12,15H2,1H3/p+1/t25-/m0/s1