4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one

Systemtic Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Openeye Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-2-one IUPAC Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Traditional Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one Formula: C20H26NO2+ MolecularWeight: 312.42594

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CC(=O)OC3=CC4=C(CCC4)C=C23)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC2=CC(=O)OC3=CC4=C(CCC4)C=C23)C

InChI

InChI=1S/C20H25NO2/c1-13-6-14(2)11-21(10-13)12-17-9-20(22)23-19-8-16-5-3-4-15(16)7-18(17)19/h7-9,13-14H,3-6,10-12H2,1-2H3/p+1/t13-,14-/m1/s1