4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-ethyl-chromen-2-one

Systemtic Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-ethyl-chromen-2-one CAS Name: 4-[[(3R,5R)-3,5-dimethyl-1-piperidin-1-iumyl]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-ethylchromen-2-one Traditional Name: 4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-7-ethyl-coumarin Formula: C19H26NO2+ MolecularWeight: 300.41524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO2/c1-4-15-5-6-17-16(9-19(21)22-18(17)8-15)12-20-10-13(2)7-14(3)11-20/h5-6,8-9,13-14H,4,7,10-12H2,1-3H3/p+1/t13-,14-/m1/s1