4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-ethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C19H26NO3+ MolecularWeight: 316.41464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CC(CC(C3)C)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3C[C@@H](C[C@H](C3)C)C)O

InChI

InChI=1S/C19H25NO3/c1-4-14-6-16-15(7-19(22)23-18(16)8-17(14)21)11-20-9-12(2)5-13(3)10-20/h6-8,12-13,21H,4-5,9-11H2,1-3H3/p+1/t12-,13-/m1/s1