butyl-methyl-[(7-oxidanyl-2-oxidanylidene-4-phenyl-chromen-8-yl)methyl]azanium

Systemtic Name: butyl-methyl-[(7-oxidanyl-2-oxidanylidene-4-phenyl-chromen-8-yl)methyl]azanium Openeye Name: butyl-[(7-hydroxy-2-oxo-4-phenyl-chromen-8-yl)methyl]-methyl-ammonium CAS Name: butyl-[(7-hydroxy-2-oxo-4-phenyl-1-benzopyran-8-yl)methyl]-methylammonium IUPAC Name: butyl-[(7-hydroxy-2-oxo-4-phenylchromen-8-yl)methyl]-methylazanium Traditional Name: butyl-[(7-hydroxy-2-keto-4-phenyl-chromen-8-yl)methyl]-methyl-ammonium Formula: C21H24NO3+ MolecularWeight: 338.42016

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O

Isomeric SMILES

CCCC[NH+](C)CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O

InChI

InChI=1S/C21H23NO3/c1-3-4-12-22(2)14-18-19(23)11-10-16-17(13-20(24)25-21(16)18)15-8-6-5-7-9-15/h5-11,13,23H,3-4,12,14H2,1-2H3/p+1