AC1NSEIP

7-hydroxy-4-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one;pyridine-4-carboxylate

Also Known As: Coumarin, 7-hydroxy-4-methyl-8-(piperidinomethyl)-4-methyl-, isonicotinate (salt)|7-Hydroxy-4-methyl-8-(piperidinomethyl)-4-methylcoumarin isonicotinate (salt)|7-hydroxy-4-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one; pyridine-4-carboxylate|7-HYDROXY-4-METHYL-8-(PIPERIDIN-1-YLMETHYL)-4-METHYLCOUMARIN ISONICOTINATE|7-hydroxy-4,4-dimethyl-8-(piperidin-1-ylmethyl)-3H-chromen-2-one,pyridine-4-carboxylic acid

Molecular Formula	C22H24N2O5
Molecular Weight	396.16852 g/mol
LogP	0.82092
Topological Polar Surface Area	107.9 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	396.16852
Monoisotopic Mass	396.16852
Heavy Atoms	29
Complexity	1040.2472

Chemical Identifiers

CAS Number	10550-22-8
SMILES	CC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3)O.C1=CN=CC=C1C(=O)[O-]