4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-hydroxy-4-methyl-8-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-hydroxy-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C17H22NO3+ MolecularWeight: 288.36148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C=C3C)O

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=O)C=C3C)O

InChI

InChI=1S/C17H21NO3/c1-11-4-3-7-18(9-11)10-14-15(19)6-5-13-12(2)8-16(20)21-17(13)14/h5-6,8,11,19H,3-4,7,9-10H2,1-2H3/p+1/t11-/m1/s1