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

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

CC1CCC[NH+](C1)CC2=C(C(=C3C(=C2)C4=C(CCC4)C(=O)O3)C)O

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=C(C(=C3C(=C2)C4=C(CCC4)C(=O)O3)C)O

InChI

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