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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH+]3CCCCC3CC

Isomeric SMILES

CCCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH+]3CCCC[C@@H]3CC

InChI

InChI=1S/C20H26ClNO3/c1-3-7-13-10-18(23)25-20-15(13)11-17(21)19(24)16(20)12-22-9-6-5-8-14(22)4-2/h10-11,14,24H,3-9,12H2,1-2H3/p+1/t14-/m0/s1