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

Systemtic Name: 6-chloranyl-4-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-4-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-chromen-2-one CAS Name: 6-chloro-4-ethyl-8-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 6-chloro-4-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxychromen-2-one Traditional Name: 6-chloro-4-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-coumarin Formula: C19H25ClNO3+ MolecularWeight: 350.8597

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C3C(=CC(=C2O)Cl)C(=CC(=O)O3)CC

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=C3C(=CC(=C2O)Cl)C(=CC(=O)O3)CC

InChI

InChI=1S/C19H24ClNO3/c1-3-12-9-17(22)24-19-14(12)10-16(20)18(23)15(19)11-21-8-6-5-7-13(21)4-2/h9-10,13,23H,3-8,11H2,1-2H3/p+1/t13-/m0/s1