4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-oxidanyl-benzo[c]chromen-6-one

Systemtic Name: 4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-oxidanyl-benzo[c]chromen-6-one Openeye Name: 4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-hydroxy-benzo[c]chromen-6-one CAS Name: 4-[[(2R)-2-ethyl-1-piperidin-1-iumyl]methyl]-3-hydroxy-6-benzo[c][1]benzopyranone IUPAC Name: 4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-hydroxybenzo[c]chromen-6-one Traditional Name: 4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-hydroxy-benzo[c]chromen-6-one Formula: C21H24NO3+ MolecularWeight: 338.42016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=O)C4=CC=CC=C34)O

Isomeric SMILES

CC[C@@H]1CCCC[NH+]1CC2=C(C=CC3=C2OC(=O)C4=CC=CC=C34)O

InChI

InChI=1S/C21H23NO3/c1-2-14-7-5-6-12-22(14)13-18-19(23)11-10-16-15-8-3-4-9-17(15)21(24)25-20(16)18/h3-4,8-11,14,23H,2,5-7,12-13H2,1H3/p+1/t14-/m1/s1