3-ethyl-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 3-ethyl-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-ethyl-7-hydroxy-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 3-ethyl-7-hydroxy-4-methyl-8-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 3-ethyl-7-hydroxy-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 3-ethyl-7-hydroxy-4-methyl-8-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C19H26NO3+ MolecularWeight: 316.41464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C(=C(C=C2)O)C[NH+]3CCCC(C3)C)OC1=O)C

Isomeric SMILES

CCC1=C(C2=C(C(=C(C=C2)O)C[NH+]3CCC[C@H](C3)C)OC1=O)C

InChI

InChI=1S/C19H25NO3/c1-4-14-13(3)15-7-8-17(21)16(18(15)23-19(14)22)11-20-9-5-6-12(2)10-20/h7-8,12,21H,4-6,9-11H2,1-3H3/p+1/t12-/m1/s1