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

Systemtic Name: 8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-6-methyl-7-oxidanyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Openeye Name: 8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one CAS Name: 8-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-7-hydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-4-one IUPAC Name: 8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Traditional Name: 8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C(=C3C(=C2)C4=C(CCC4)C(=O)O3)C)O

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3/c1-3-15-7-4-5-10-22(15)12-14-11-18-16-8-6-9-17(16)21(24)25-20(18)13(2)19(14)23/h11,15,23H,3-10,12H2,1-2H3/p+1/t15-/m0/s1