8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-4-propyl-chromen-2-one chloride

Systemtic Name: 8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-7-oxidanyl-4-propyl-chromen-2-one chloride Openeye Name: 8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-7-hydroxy-4-propyl-chromen-2-one chloride CAS Name: 8-[(2-ethyl-1-piperidin-1-iumyl)methyl]-7-hydroxy-4-propyl-1-benzopyran-2-one chloride IUPAC Name: 8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-7-hydroxy-4-propylchromen-2-one chloride Traditional Name: 8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-7-hydroxy-4-propyl-coumarin chloride Formula: C20H28ClNO3 MolecularWeight: 365.89422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3CC)O.[Cl-]

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C=CC(=C2C[NH+]3CCCCC3CC)O.[Cl-]

InChI

InChI=1S/C20H27NO3.ClH/c1-3-7-14-12-19(23)24-20-16(14)9-10-18(22)17(20)13-21-11-6-5-8-15(21)4-2;/h9-10,12,15,22H,3-8,11,13H2,1-2H3;1H