4-ethyl-6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO3/c1-4-14-11-18(22)24-20-13(3)19(23)15(10-17(14)20)12-21-9-7-6-8-16(21)5-2/h10-11,16,23H,4-9,12H2,1-3H3/p+1/t16-/m0/s1