3-[[(3R)-3-(3-morpholin-4-yl-3-oxidanylidene-propyl)piperidin-1-ium-1-yl]methyl]chromen-4-one

Systemtic Name: 3-[[(3R)-3-(3-morpholin-4-yl-3-oxidanylidene-propyl)piperidin-1-ium-1-yl]methyl]chromen-4-one Openeye Name: 3-[[(3R)-3-(3-morpholino-3-oxo-propyl)piperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-[[(3R)-3-[3-(4-morpholinyl)-3-oxopropyl]-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[(3R)-3-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-[[(3R)-3-(3-keto-3-morpholino-propyl)piperidin-1-ium-1-yl]methyl]chromone Formula: C22H29N2O4+ MolecularWeight: 385.47666

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=COC3=CC=CC=C3C2=O)CCC(=O)N4CCOCC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=COC3=CC=CC=C3C2=O)CCC(=O)N4CCOCC4

InChI

InChI=1S/C22H28N2O4/c25-21(24-10-12-27-13-11-24)8-7-17-4-3-9-23(14-17)15-18-16-28-20-6-2-1-5-19(20)22(18)26/h1-2,5-6,16-17H,3-4,7-15H2/p+1/t17-/m1/s1