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

Systemtic Name: 6-chloranyl-7-methyl-4-[[(3S)-3-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[(3S)-3-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[(3S)-3-[4-morpholinyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[(3S)-3-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[(3S)-3-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]methyl]coumarin Formula: C21H26ClN2O4+ MolecularWeight: 405.89514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCC(C3)C(=O)N4CCOCC4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCC[C@@H](C3)C(=O)N4CCOCC4)Cl

InChI

InChI=1S/C21H25ClN2O4/c1-14-9-19-17(11-18(14)22)16(10-20(25)28-19)13-23-4-2-3-15(12-23)21(26)24-5-7-27-8-6-24/h9-11,15H,2-8,12-13H2,1H3/p+1/t15-/m0/s1