7-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-chromen-2-one

Systemtic Name: 7-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-chromen-2-one Openeye Name: 6-hydroxy-7-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-hydroxy-7-methyl-4-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-hydroxy-7-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-hydroxy-7-methyl-4-[[(2S)-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=CC(=O)OC3=CC(=C(C=C23)O)C

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3/c1-11-7-16-14(9-15(11)19)13(8-17(20)21-16)10-18-6-4-3-5-12(18)2/h7-9,12,19H,3-6,10H2,1-2H3/p+1/t12-/m0/s1