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

Systemtic Name: 4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 7-hydroxy-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-hydroxy-4-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-hydroxy-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-hydroxy-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C16H20NO3+ MolecularWeight: 274.3349

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3)O

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3)O

InChI

InChI=1S/C16H19NO3/c1-11-4-2-3-7-17(11)10-12-8-16(19)20-15-9-13(18)5-6-14(12)15/h5-6,8-9,11,18H,2-4,7,10H2,1H3/p+1/t11-/m0/s1