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

Systemtic Name: 6-chloranyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-3,4-dimethyl-7-oxidanyl-chromen-2-one Openeye Name: 6-chloro-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-3,4-dimethyl-chromen-2-one CAS Name: 6-chloro-8-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-7-hydroxy-3,4-dimethyl-1-benzopyran-2-one IUPAC Name: 6-chloro-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-3,4-dimethylchromen-2-one Traditional Name: 6-chloro-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-3,4-dimethyl-coumarin Formula: C19H25ClNO3+ MolecularWeight: 350.8597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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