7-ethyl-4-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 7-ethyl-4-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 7-ethyl-4-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 7-ethyl-4-[[(3R)-3-(hydroxymethyl)-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 7-ethyl-4-[[(3R)-3-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 7-ethyl-4-[[(3R)-3-methylolpiperidin-1-ium-1-yl]methyl]coumarin Formula: C18H24NO3+ MolecularWeight: 302.38806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCC(C3)CO

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC[C@H](C3)CO

InChI

InChI=1S/C18H23NO3/c1-2-13-5-6-16-15(9-18(21)22-17(16)8-13)11-19-7-3-4-14(10-19)12-20/h5-6,8-9,14,20H,2-4,7,10-12H2,1H3/p+1/t14-/m1/s1