4-[(4-ethanoyl-1,4-diazepan-1-ium-1-yl)methyl]-6-ethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[(4-ethanoyl-1,4-diazepan-1-ium-1-yl)methyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[(4-acetyl-1,4-diazepan-1-ium-1-yl)methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[(4-acetyl-1,4-diazepan-1-ium-1-yl)methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[(4-acetyl-1,4-diazepan-1-ium-1-yl)methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[(4-acetyl-1,4-diazepan-1-ium-1-yl)methyl]-6-ethyl-7-hydroxy-coumarin Formula: C19H25N2O4+ MolecularWeight: 345.4128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCCN(CC3)C(=O)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCCN(CC3)C(=O)C)O

InChI

InChI=1S/C19H24N2O4/c1-3-14-9-16-15(10-19(24)25-18(16)11-17(14)23)12-20-5-4-6-21(8-7-20)13(2)22/h9-11,23H,3-8,12H2,1-2H3/p+1