7-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-9-oxidanyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

Systemtic Name: 7-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-9-oxidanyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Openeye Name: 9-hydroxy-7-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one CAS Name: 9-hydroxy-7-methyl-8-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one IUPAC Name: 9-hydroxy-7-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Traditional Name: 9-hydroxy-7-methyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Formula: C20H26NO3+ MolecularWeight: 328.42534

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C3=C(C=C2C)OC(=O)C4=C3CCC4)O

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(C3=C(C=C2C)OC(=O)C4=C3CCC4)O

InChI

InChI=1S/C20H25NO3/c1-12-5-4-8-21(10-12)11-16-13(2)9-17-18(19(16)22)14-6-3-7-15(14)20(23)24-17/h9,12,22H,3-8,10-11H2,1-2H3/p+1/t12-/m0/s1