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

Systemtic Name: 6-ethyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-ethyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-ethyl-4-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-ethyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-ethyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C18H24NO2+ MolecularWeight: 286.38866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCCCC3C

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCCC[C@@H]3C

InChI

InChI=1S/C18H23NO2/c1-3-14-7-8-17-16(10-14)15(11-18(20)21-17)12-19-9-5-4-6-13(19)2/h7-8,10-11,13H,3-6,9,12H2,1-2H3/p+1/t13-/m0/s1