6-ethyl-4-methyl-8-[(4-methylpiperidin-1-yl)methyl]-7-oxidanyl-chromen-2-one bromide

Systemtic Name: 6-ethyl-4-methyl-8-[(4-methylpiperidin-1-yl)methyl]-7-oxidanyl-chromen-2-one bromide Openeye Name: 6-ethyl-7-hydroxy-4-methyl-8-[(4-methyl-1-piperidyl)methyl]chromen-2-one bromide CAS Name: 6-ethyl-7-hydroxy-4-methyl-8-[(4-methyl-1-piperidinyl)methyl]-1-benzopyran-2-one bromide IUPAC Name: 6-ethyl-7-hydroxy-4-methyl-8-[(4-methylpiperidin-1-yl)methyl]chromen-2-one bromide Traditional Name: 6-ethyl-7-hydroxy-4-methyl-8-[(4-methylpiperidino)methyl]coumarin bromide Formula: C19H25BrNO3- MolecularWeight: 395.3107

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)CN3CCC(CC3)C)O.[Br-]

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=CC(=O)O2)C)CN3CCC(CC3)C)O.[Br-]

InChI

InChI=1S/C19H25NO3.BrH/c1-4-14-10-15-13(3)9-17(21)23-19(15)16(18(14)22)11-20-7-5-12(2)6-8-20;/h9-10,12,22H,4-8,11H2,1-3H3;1H/p-1