6-chloranyl-7-ethyl-4-[[(3S)-3-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-ethyl-4-[[(3S)-3-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-ethyl-4-[[(3S)-3-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-ethyl-4-[[(3S)-3-[4-morpholinyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-ethyl-4-[[(3S)-3-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[[(3S)-3-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]methyl]coumarin Formula: C22H28ClN2O4+ MolecularWeight: 419.92172

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCC(C3)C(=O)N4CCOCC4)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCC[C@@H](C3)C(=O)N4CCOCC4)Cl

InChI

InChI=1S/C22H27ClN2O4/c1-2-15-10-20-18(12-19(15)23)17(11-21(26)29-20)14-24-5-3-4-16(13-24)22(27)25-6-8-28-9-7-25/h10-12,16H,2-9,13-14H2,1H3/p+1/t16-/m0/s1