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

Systemtic Name: 4-methyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-methyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-hydroxy-4-methyl-8-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-methyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-hydroxy-4-methyl-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C17H22NO3+ MolecularWeight: 288.36148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=O)C=C3C)O

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CC2=C(C=CC3=C2OC(=O)C=C3C)O

InChI

InChI=1S/C17H21NO3/c1-11-9-16(20)21-17-13(11)6-7-15(19)14(17)10-18-8-4-3-5-12(18)2/h6-7,9,12,19H,3-5,8,10H2,1-2H3/p+1/t12-/m1/s1