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

Systemtic Name: 4-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-8-methyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-8-methyl-chromen-2-one CAS Name: 4-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-7-hydroxy-8-methyl-1-benzopyran-2-one IUPAC Name: 4-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-8-methylchromen-2-one Traditional Name: 4-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-8-methyl-coumarin Formula: C18H24NO3+ MolecularWeight: 302.38806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=CC(=O)OC3=C2C=CC(=C3C)O

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3/c1-3-14-6-4-5-9-19(14)11-13-10-17(21)22-18-12(2)16(20)8-7-15(13)18/h7-8,10,14,20H,3-6,9,11H2,1-2H3/p+1/t14-/m0/s1