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

Systemtic Name: 6-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-8-methyl-7-oxidanyl-4-phenyl-chromen-2-one Openeye Name: 6-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-8-methyl-4-phenyl-chromen-2-one CAS Name: 6-[[(2R)-2-ethyl-1-piperidin-1-iumyl]methyl]-7-hydroxy-8-methyl-4-phenyl-1-benzopyran-2-one IUPAC Name: 6-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-8-methyl-4-phenylchromen-2-one Traditional Name: 6-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-8-methyl-4-phenyl-coumarin Formula: C24H28NO3+ MolecularWeight: 378.48402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(C(=C3C(=C2)C(=CC(=O)O3)C4=CC=CC=C4)C)O

Isomeric SMILES

CC[C@@H]1CCCC[NH+]1CC2=C(C(=C3C(=C2)C(=CC(=O)O3)C4=CC=CC=C4)C)O

InChI

InChI=1S/C24H27NO3/c1-3-19-11-7-8-12-25(19)15-18-13-21-20(17-9-5-4-6-10-17)14-22(26)28-24(21)16(2)23(18)27/h4-6,9-10,13-14,19,27H,3,7-8,11-12,15H2,1-2H3/p+1/t19-/m1/s1