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

Systemtic Name: 6-chloranyl-7-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C17H21ClNO2+ MolecularWeight: 306.80714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

Isomeric SMILES

C[C@H]1CCCC[NH+]1CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

InChI

InChI=1S/C17H20ClNO2/c1-11-7-16-14(9-15(11)18)13(8-17(20)21-16)10-19-6-4-3-5-12(19)2/h7-9,12H,3-6,10H2,1-2H3/p+1/t12-/m0/s1