6-chloranyl-4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one

Systemtic Name: 6-chloranyl-4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one Openeye Name: 6-chloro-4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-methyl-chromen-2-one CAS Name: 6-chloro-4-[[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-7-methyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-methylchromen-2-one Traditional Name: 6-chloro-4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-methyl-coumarin Formula: C18H23ClNO2+ MolecularWeight: 320.83372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C)C

Isomeric SMILES

C[C@@H]1C[C@H](C[NH+](C1)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C)C

InChI

InChI=1S/C18H22ClNO2/c1-11-4-12(2)9-20(8-11)10-14-6-18(21)22-17-5-13(3)16(19)7-15(14)17/h5-7,11-12H,4,8-10H2,1-3H3/p+1/t11-,12-/m1/s1