ethyl-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-(phenylmethyl)azanium

Systemtic Name: ethyl-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]ammonium CAS Name: ethyl-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]azanium Traditional Name: benzyl-ethyl-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl]ammonium Formula: C21H24NO3+ MolecularWeight: 338.42016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](CC)CC3=CC=CC=C3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](CC)CC3=CC=CC=C3)O

InChI

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