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

Systemtic Name: 4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-1-methyl-3-oxidanyl-benzo[c]chromen-6-one Openeye Name: 4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-hydroxy-1-methyl-benzo[c]chromen-6-one CAS Name: 4-[[(2R)-2-ethyl-1-piperidin-1-iumyl]methyl]-3-hydroxy-1-methyl-6-benzo[c][1]benzopyranone IUPAC Name: 4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-hydroxy-1-methylbenzo[c]chromen-6-one Traditional Name: 4-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-3-hydroxy-1-methyl-benzo[c]chromen-6-one Formula: C22H26NO3+ MolecularWeight: 352.44674

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C=C(C3=C2OC(=O)C4=CC=CC=C43)C)O

Isomeric SMILES

CC[C@@H]1CCCC[NH+]1CC2=C(C=C(C3=C2OC(=O)C4=CC=CC=C43)C)O

InChI

InChI=1S/C22H25NO3/c1-3-15-8-6-7-11-23(15)13-18-19(24)12-14(2)20-16-9-4-5-10-17(16)22(25)26-21(18)20/h4-5,9-10,12,15,24H,3,6-8,11,13H2,1-2H3/p+1/t15-/m1/s1