4-methyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one; pyridine-3-carboxylate

Systemtic Name: 4-methyl-7-oxidanyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one; pyridine-3-carboxylate Openeye Name: 7-hydroxy-4-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one; pyridine-3-carboxylate CAS Name: 7-hydroxy-4-methyl-8-(1-piperidin-1-iumylmethyl)-1-benzopyran-2-one; 3-pyridinecarboxylate IUPAC Name: 7-hydroxy-4-methyl-8-(piperidin-1-ium-1-ylmethyl)chromen-2-one; pyridine-3-carboxylate Traditional Name: 7-hydroxy-4-methyl-8-(piperidin-1-ium-1-ylmethyl)coumarin; nicotinate Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3)O.C1=CC(=CN=C1)C(=O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3)O.C1=CC(=CN=C1)C(=O)[O-]

InChI

InChI=1S/C16H19NO3.C6H5NO2/c1-11-9-15(19)20-16-12(11)5-6-14(18)13(16)10-17-7-3-2-4-8-17;8-6(9)5-2-1-3-7-4-5/h5-6,9,18H,2-4,7-8,10H2,1H3;1-4H,(H,8,9)