6-chloranyl-3-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-methyl-7-oxidanyl-chromen-2-one

Systemtic Name: 6-chloranyl-3-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-4-methyl-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-3-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-4-methyl-chromen-2-one CAS Name: 6-chloro-3-ethyl-8-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-7-hydroxy-4-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-3-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-4-methylchromen-2-one Traditional Name: 6-chloro-3-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-4-methyl-coumarin Formula: C20H27ClNO3+ MolecularWeight: 364.88628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClNO3/c1-4-13-8-6-7-9-22(13)11-16-18(23)17(21)10-15-12(3)14(5-2)20(24)25-19(15)16/h10,13,23H,4-9,11H2,1-3H3/p+1/t13-/m0/s1