6-chloranyl-7-ethyl-4-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCCC3C)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCC[C@H]3C)Cl

InChI

InChI=1S/C18H22ClNO2/c1-3-13-8-17-15(10-16(13)19)14(9-18(21)22-17)11-20-7-5-4-6-12(20)2/h8-10,12H,3-7,11H2,1-2H3/p+1/t12-/m1/s1