6-chloranyl-5,7-dimethyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=CC(=O)OC3=C2C(=C(C(=C3)C)Cl)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=CC(=O)OC3=C2C(=C(C(=C3)C)Cl)C

InChI

InChI=1S/C18H22ClNO2/c1-11-8-15-17(13(3)18(11)19)14(9-16(21)22-15)10-20-7-5-4-6-12(20)2/h8-9,12H,4-7,10H2,1-3H3/p+1/t12-/m0/s1