8-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

Systemtic Name: 8-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Openeye Name: 8-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one CAS Name: 8-[[(2R,6R)-2,6-dimethyl-1-piperidin-1-iumyl]methyl]-7-hydroxy-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one IUPAC Name: 8-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Traditional Name: 8-[[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Formula: C20H26NO3+ MolecularWeight: 328.42534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC2=C(C=C3C(=C2)C4=C(CCC4)C(=O)O3)O)C

Isomeric SMILES

C[C@@H]1CCC[C@H]([NH+]1CC2=C(C=C3C(=C2)C4=C(CCC4)C(=O)O3)O)C

InChI

InChI=1S/C20H25NO3/c1-12-5-3-6-13(2)21(12)11-14-9-17-15-7-4-8-16(15)20(23)24-19(17)10-18(14)22/h9-10,12-13,22H,3-8,11H2,1-2H3/p+1/t12-,13-/m1/s1