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

Systemtic Name: 8-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-8-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-hydroxy-8-methyl-4-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-8-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-hydroxy-8-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=C2C=CC(=C3C)O

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3C)O

InChI

InChI=1S/C17H21NO3/c1-11-5-3-4-8-18(11)10-13-9-16(20)21-17-12(2)15(19)7-6-14(13)17/h6-7,9,11,19H,3-5,8,10H2,1-2H3/p+1/t11-/m0/s1