6-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-3,4,8-trimethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 6-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-3,4,8-trimethyl-7-oxidanyl-chromen-2-one Openeye Name: 6-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-3,4,8-trimethyl-chromen-2-one CAS Name: 6-[[(2R)-2-ethyl-1-piperidin-1-iumyl]methyl]-7-hydroxy-3,4,8-trimethyl-1-benzopyran-2-one IUPAC Name: 6-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-3,4,8-trimethylchromen-2-one Traditional Name: 6-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-3,4,8-trimethyl-coumarin Formula: C20H28NO3+ MolecularWeight: 330.44122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO3/c1-5-16-8-6-7-9-21(16)11-15-10-17-12(2)13(3)20(23)24-19(17)14(4)18(15)22/h10,16,22H,5-9,11H2,1-4H3/p+1/t16-/m1/s1