6-chloranyl-7-methyl-4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]coumarin Formula: C17H21ClNO2+ MolecularWeight: 306.80714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)C

InChI

InChI=1S/C17H20ClNO2/c1-11-4-3-5-19(9-11)10-13-7-17(20)21-16-6-12(2)15(18)8-14(13)16/h6-8,11H,3-5,9-10H2,1-2H3/p+1/t11-/m1/s1